SCHEMBL9917352

SCHEMBL9917352

Cc1cc(Cl)ccc1CC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
IDO1 P14902 2/20 0.38
POLB P06746 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GGPS1 O95749 1/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
CHRNA4 P43681 1/20 0.36
MEN1 O00255 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8845162 0.83 CYP3A4 (0.43) CYP3A4IDO1POLBSLC6A2SLC6A4
SCHEMBL23110659 0.81 ALDH1A1 (0.36) CYP3A4IDO1POLBHDAC3HDAC1
SCHEMBL6886022 0.81 GGPS1 (0.55) CYP3A4IDO1GGPS1SLC6A2SLC6A4
SCHEMBL16672904 0.78 PYCR1 (0.42) CYP1A2MEN1USP2TP53PGR
SCHEMBL15093979 0.78 CYP3A4 (0.48) CYP3A4IDO1HDAC3HDAC1HDAC2
SCHEMBL23055181 0.78 CYP3A4 (0.45) CYP3A4IDO1GGPS1SLC6A2SLC6A4
SCHEMBL9917350 0.78 HTR2A (0.39) CYP3A4IDO1POLBGGPS1SLC6A2
SCHEMBL1309880 0.77 TP53 (0.42) CYP3A4IDO1POLBGGPS1SLC6A2
SCHEMBL8801272 0.76 HDAC3 (0.42) POLBHDAC3HDAC1HDAC2HDAC6
SCHEMBL171203 0.76 CYP3A4 (0.43) CYP3A4IDO1POLBHDAC3HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11684609-B2 Compounds and methods for treating an epileptic disorder THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-27 US disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
US-9149463-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANDFORD JUNIOR UNIVERSITY (US) 2015-10-06 US disclosed
US-20150266856-A1 RORGamma Modulators EXELIXIS, INC. 2015-09-24 US disclosed
US-9101628-B2 Methods and composition of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-08-11 US disclosed
US-9061010-B2 Methods of treating a Flaviviridae family viral infection and compositions for treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-06-23 US disclosed
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-06-04 US disclosed
US-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 US disclosed
US-20150044169-A1 METHODS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, AND SCREENING ASSAYS FOR IDENTIFYING COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION UNIV LELAND STANFORD JUNIOR (US) 2015-02-12 US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 US disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 US disclosed
US-20110052536-A1 METHODS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION AND COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-03 US disclosed
US-20110052536-A1 METHODS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION AND COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-03 US disclosed
US-20100260717-A1 METHODS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, AND SCREENING ASSAYS FOR IDENTIFYING COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-10-14 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 US disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150266856-A1 RORGamma Modulators RORB, RORA, RORC CYP3A4 1361/4885IDO1 1596/4885POLB 2534/4885
US-10035790-B2 RORγ modulators RORB, RORA, RORC CYP3A4 670/4885IDO1 916/4885POLB 3417/4885
US-20110052536-A1 METHODS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION AND COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, RNGTT CYP3A4 1854/4885IDO1 2641/4885POLB 996/4885
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 CYP3A4 2026/4885IDO1 2519/4885POLB 582/4885
US-20100260717-A1 METHODS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, AND SCREENING ASSAYS FOR IDENTIFYING COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION HAVCR2, MAVS, EIF2AK2 CYP3A4 1580/4885IDO1 2007/4885POLB 2311/4885
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 CYP3A4 2026/4885IDO1 2519/4885POLB 582/4885
US-20150044169-A1 METHODS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, AND SCREENING ASSAYS FOR IDENTIFYING COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION HAVCR2, MAVS, EIF2AK2 CYP3A4 1580/4885IDO1 2007/4885POLB 2311/4885
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 CYP3A4 2026/4885IDO1 2519/4885POLB 582/4885
US-11684609-B2 Compounds and methods for treating an epileptic disorder GABRE, SLC6A1, GABBR1 CYP3A4 176/4885IDO1 2818/4885POLB 3897/4885
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 CYP3A4 180/4885IDO1 3805/4885POLB 617/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 CYP3A4 2026/4885IDO1 2519/4885POLB 582/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.