SCHEMBL490266

SCHEMBL490266

COC(=O)c1ccc(C(=O)OC)c(I)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.62
ALDH1A1 P00352 11/20 0.62
HSD17B10 Q99714 5/20 0.62
HPGD P15428 5/20 0.62
MAPT P10636 4/20 0.62
ATM Q13315 3/20 0.62
GLA P06280 3/20 0.62
GAA P10253 3/20 0.62
CASP1 P29466 1/20 0.62
CASP7 P55210 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.54
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA12 O43570 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
XDH P47989 1/20 0.53
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL9480687 0.91 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL977599 0.89 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL3112544 0.89 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL27707943 0.85 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL550572 0.84 CA1 (0.57) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL204112 0.82 CA1 (0.55) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL3106288 0.82 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL3106284 0.82 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL29492994 0.82 KDM4E (0.69) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL126043 0.82 KDM4E (0.69) KDM4EALDH1A1HSD17B10HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1129003-A Reduced fluorescence compositions containing naphthalenedicarboxylic acid polymers and halogens EASTMAN CHEM CO (US) 1996-08-14 CN claimed
US-20140135327-A1 N- (2 -AMINOPHENYL) BENZAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-05-15 US disclosed
US-20140135327-A1 N- (2 -AMINOPHENYL) BENZAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-05-15 US disclosed
US-20140135327-A1 N- (2 -AMINOPHENYL) BENZAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-05-15 US disclosed
EP-2729450-A1 N- (2 -AMINOPHENYL) BENZAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Cancer Research Technology Ltd (GB) 2014-05-14 EP disclosed
WO-2013005049-A1 N- (2 -AMINOPHENYL) BENZAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-01-10 WO disclosed
US-8350041-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-08 US disclosed
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R (US) 2012-04-19 US disclosed
US-8106207-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-01-31 US disclosed
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R 2011-10-06 US disclosed
WO-2001081316-A2 SUBSTITUTED PHENYL FARNESYLTRANSFERASE INHIBITORS ABBOTT LABORATORIES (US) 2001-11-01 WO disclosed
US-5880309-A DIALKYL DIALKOXYCARBONYLPHENYL PHOSPHONATES USEFUL AS RESIN MODIFIERS PRODUCED AT HIGH YIELD AND LOW COST BY HEATING A TRIALKYL PHOSPHITE AND A DIALKOXYCARBONYLPHENYL HALIDE IN THE PRESENCE OF A PALLADIUM OR NICKEL CATALYST AND HYDROLYZING NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-09 US disclosed
CN-1209146-A Polymeric fluorescence quenching compounds and their use EASTMAN CHEM CO (US) 1999-02-24 CN disclosed
CN-1209150-A Polyester blend compositions containing naphthalene dicarboxylate having reduced fluorescence EASTMAN CHEM CO (US) 1999-02-24 CN disclosed
EP-0873123-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-02-03 EP disclosed
EP-0873123-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-10-28 EP disclosed
EP-0855400-A1 Phenylphosphonic acid derivative and production process therefor NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-07-29 EP disclosed
WO-1997017070-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-05-15 WO disclosed
CN-1129003-A Reduced fluorescence compositions containing naphthalenedicarboxylic acid polymers and halogens EASTMAN CHEM CO (US) 1996-08-14 CN disclosed
CN-1129006-A Process for prepn. of naphthalenedicarboxylic acid containing polymer blends having reduced fluorescence EASTMAN CHEM CO (US) 1996-08-14 CN 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-20140135327-A1 N- (2 -AMINOPHENYL) BENZAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC5, HDAC2, HDAC1 KDM4E 318/4885ALDH1A1 186/4885HSD17B10 1180/4885
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 KDM4E 2174/4885ALDH1A1 1302/4885HSD17B10 1523/4885
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 KDM4E 2174/4885ALDH1A1 1302/4885HSD17B10 1523/4885

“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.