SCHEMBL860074

SCHEMBL860074

Cc1cc(Cl)c2[nH]ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.50
TNF P01375 1/20 0.38
RIPK1 Q13546 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
CSNK2A1 P68400 1/20 0.37
AR P10275 1/20 0.37
NR4A2 P43354 2/20 0.36
CMA1 P23946 1/20 0.36
F7 P08709 1/20 0.36
LTA4H P09960 1/20 0.36
F3 P13726 1/20 0.36
IKBKB O14920 3/20 0.36
CHUK O15111 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GRM2 Q14416 1/20 0.33
GRM5 P41594 1/20 0.33
BRD4 O60885 1/20 0.32
TAF1 P21675 1/20 0.32

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
Tert-Butyl Formate SCHEMBL27601875 0.83 TDP1 (0.37) AHRHRH4IKBKBCHUKACHE
SCHEMBL564695 0.79 AHR (0.50) AHRTNFRIPK1CSNK2A1NR4A2
SCHEMBL838245 0.78 AHR (0.54) AHRTNFRIPK1HRH4CSNK2A1
SCHEMBL4798726 0.78 CYP1A2 (0.40) AHRHRH4ARIKBKBCHUK
SCHEMBL4489425 0.77 AHR (0.52) AHRTNFRIPK1CSNK2A1AR
SCHEMBL15934119 0.75 TDP1 (0.38) AHRIKBKBCHUKBRD4TAF1
SCHEMBL17064186 0.75 AHR (0.50) AHRTNFRIPK1CSNK2A1NR4A2
SCHEMBL5176001 0.75 XDH (0.40) AHRTNFRIPK1CSNK2A1NR4A2
SCHEMBL22253018 0.75 SELL (0.41) AHRIKBKBCHUKSLC6A2GRM5
SCHEMBL1394068 0.75 TNF (0.42) AHRTNFRIPK1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11193065-B2 Liquid crystal composition, method of producing the same, and retardation film constituted from the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-12-07 US disclosed
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE UNIV BRITISH COLUMBIA (CA) 2021-01-28 US disclosed
US-20200165519-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND RETARDATION PLATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-28 US disclosed
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2020-04-28 US disclosed
US-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-10-03 US disclosed
US-20190276744-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-12 US disclosed
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-07-16 US disclosed
US-10336938-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-07-02 US disclosed
US-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 US disclosed
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-02-02 US disclosed
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2016-01-28 US disclosed
WO-2015154169-A1 BINDING FUNCTION3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-10-15 WO disclosed
US-9096611-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2015-08-04 US disclosed
US-8741942-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-03 US disclosed
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-06-14 US disclosed
US-8143300-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-27 US disclosed
US-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-07-14 US disclosed
US-20110144169-A1 Inhibitors of cellular necrosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-16 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 (10 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-20170335191-A1 LIQUID CRYSTAL COMPOSITION RCC1, CCDC47, ACIN1 AHR 4159/4885TNF 3044/4885RIPK1 2609/4885
US-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 AHR 4563/4885TNF 3557/4885RIPK1 358/4885
US-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 AHR 4325/4885TNF 4872/4885RIPK1 3261/4885
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 AHR 4325/4885TNF 4872/4885RIPK1 3261/4885
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 AHR 4325/4885TNF 4872/4885RIPK1 3261/4885
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 AHR 4325/4885TNF 4872/4885RIPK1 3261/4885
US-20110144169-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD AHR 4812/4885TNF 1/4885RIPK1 135/4885
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 AHR 4325/4885TNF 4872/4885RIPK1 3261/4885
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS TNF, AIFM1, BAD AHR 4812/4885TNF 1/4885RIPK1 135/4885
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 AHR 4563/4885TNF 3557/4885RIPK1 358/4885

“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.