SCHEMBL3096336

SCHEMBL3096336

COCCc1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.57
AOC3 Q16853 1/20 0.53
IDO1 P14902 3/20 0.50
PNMT P11086 2/20 0.50
CYP3A4 P08684 2/20 0.50
AGXT P21549 2/20 0.50
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR2B P41595 1/20 0.44
HTR6 P50406 1/20 0.44
TDO2 P48775 1/20 0.44

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
SCHEMBL7901300 0.85 ENPP2 (0.46) TAAR1AOC3CHRM2CHRM1CHRM3
SCHEMBL11507348 0.83 TAAR1 (0.45) TAAR1AOC3IDO1CYP3A4AGXT
SCHEMBL12050856 0.80 TAAR1 (0.74) TAAR1AOC3IDO1PNMTCYP3A4
SCHEMBL22519891 0.79 CYP3A4 (0.55) TAAR1IDO1PNMTCYP3A4AGXT
SCHEMBL791970 0.79 CYP3A4 (0.64) TAAR1IDO1PNMTCYP3A4AGXT
SCHEMBL23149258 0.79 IDO1 (0.43) IDO1
SCHEMBL10204841 0.78 TAAR1 (0.59) TAAR1IDO1
SCHEMBL16858350 0.78 ENPP2 (0.42) TAAR1CHRM2CHRM1CHRM3
SCHEMBL13548270 0.78 KDM4E (0.47) TAAR1CHRM2CHRM1CHRM3
SCHEMBL3889869 0.77 TAAR1 (0.53) TAAR1AOC3IDO1PNMTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 WO disclosed
US-8722942-B2 Method for producing biphenyl derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2014-05-13 US disclosed
EP-2075241-B1 METHOD FOR PRODUCING A BIPHENYL DERIVATIVE TORAY FINECHEMICALS CO LTD (JP) 2013-09-25 EP disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20100230634-A1 METHOD FOR PRODUCING BIPHENYL DERIVATIVE Hayashi, Tamio (JP) 2010-09-16 US disclosed
EP-2075241-A1 METHOD FOR PRODUCING BIPHENYL DERIVATIVE Toray Fine Chemicals Co., Ltd. (JP) 2009-07-01 EP disclosed
EP-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP 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 (1 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-20100230634-A1 METHOD FOR PRODUCING BIPHENYL DERIVATIVE CYP2E1, DDT, B2M TAAR1 4209/4885AOC3 1215/4885IDO1 2296/4885

“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.