SCHEMBL3682829

SCHEMBL3682829

CCOC(=O)C(CC(OC)OC)CC(OC)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
CPB2 Q96IY4 2/20 0.38
ALOX15 P16050 3/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
TRPA1 O75762 1/20 0.34
CYP3A4 P08684 3/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM1 P11229 1/20 0.33
ADORA1 P30542 1/20 0.33
PIN1 Q13526 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
SCHEMBL31242818 0.83 MEN1 (0.33) ALDH1A1MEN1NPC1KMT2AHSD17B10
SCHEMBL3453810 0.82 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHSD17B10LMNA
SCHEMBL3686978 0.81 CA1 (0.43) ALDH1A1NPC1KMT2ATSHRCA1
SCHEMBL1682370 0.80 CYP3A4 (0.45) ALDH1A1HSD17B10LMNAALOX15MGAM
SCHEMBL3687350 0.78 TDP1 (0.38) ALDH1A1MEN1NPC1KMT2AHSD17B10
SCHEMBL7635855 0.75 ALDH1A1 (0.34) ALDH1A1HSD17B10LMNAALOX15MGAM
SCHEMBL16573686 0.74 CYP3A4 (0.47) ALDH1A1MEN1NPC1KMT2AHSD17B10
SCHEMBL12907779 0.74 CYP3A4 (0.47) ALDH1A1MEN1NPC1KMT2AHSD17B10
SCHEMBL4570452 0.74 ALDH1A1 (0.37) ALDH1A1MEN1NPC1KMT2AHSD17B10
SCHEMBL19858945 0.74 MEN1 (0.39) ALDH1A1MEN1KMT2AHSD17B10LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8895598-B2 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 THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-11-25 US disclosed
EP-2060557-B1 Intermediate compounds useful to prepare dolasetron INKE SA (ES) 2012-06-06 EP disclosed
US-7858821-B2 Intermediate compounds useful to prepare dolasetron INKE, S.A. (ES) 2010-12-28 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
EP-2060557-A1 Intermediate compounds useful to prepare dolasetron INKE, S.A. (ES) 2009-05-20 EP disclosed
US-20090124807-A1 INTERMEDIATE COMPOUNDS USEFUL TO PREPARE DOLASETRON INKE, S.A. 2009-05-14 US disclosed
WO-2009039246-A2 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 STANFORD UNIVERSITY (US) 2009-03-26 WO 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 (3 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-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 ALDH1A1 757/4885MEN1 4779/4885NPC1 374/4885
US-20090124807-A1 INTERMEDIATE COMPOUNDS USEFUL TO PREPARE DOLASETRON DHPS, ALG8, DDOST ALDH1A1 2148/4885MEN1 2493/4885NPC1 257/4885
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 ALDH1A1 757/4885MEN1 4779/4885NPC1 374/4885

“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.