SCHEMBL331060

SCHEMBL331060

Nc1ccccc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.54
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 1/20 0.52
PTGER1 P34995 1/20 0.50
PTGER3 P43115 1/20 0.50
PTGER2 P43116 1/20 0.50
ADORA1 P30542 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
DHFR P00374 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 3/20 0.45
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 1/20 0.45
CYP1B1 Q16678 1/20 0.45
PTGES2 Q9H7Z7 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 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
SCHEMBL29962162 1.00 AHR (0.54) AHRALDH1A1HSD17B10PTGER1PTGER3
SCHEMBL1300021 0.88 ALDH1A1 (0.61) AHRALDH1A1HSD17B10PTGER1PTGER3
SCHEMBL23502859 0.86 ALDH1A1 (0.52) AHRALDH1A1HSD17B10PTGER1PTGER3
SCHEMBL15364609 0.82 ALDH1A1 (0.47) ALDH1A1HSD17B10PTGER1PTGER3PTGER2
SCHEMBL31161110 0.82 PTGS2 (0.58) ALDH1A1HSD17B10ADORA1L3MBTL1DHFR
SCHEMBL18238557 0.82 ESR2 (0.58) ALDH1A1HSD17B10ADORA1L3MBTL1DHFR
SCHEMBL3904951 0.82 FEN1 (0.51) ALDH1A1HSD17B10L3MBTL1DHFRTSHR
SCHEMBL8098489 0.82 CYP3A4 (0.48) ALDH1A1HSD17B10L3MBTL1DHFRTSHR
SCHEMBL397260 0.82 PTGS2 (0.58) ALDH1A1HSD17B10ADORA1L3MBTL1DHFR
SCHEMBL1558220 0.81 ALDH1A1 (0.54) AHRALDH1A1HSD17B10L3MBTL1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3500551-B1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2021-11-10 EP claimed
US-10683256-B2 Process for preparing substituted biphenyls BASF SE (DE) 2020-06-16 US claimed
CN-111056950-A Method for preparing 3', 4' -dichloro-2-aminobiphenyl 广东石油化工学院 2020-04-24 CN claimed
US-20190210954-A1 Process for Preparing Substituted Biphenyls LIANHE CHEMICAL TECHNOLOGY CO., LTD (CN) 2019-07-11 US claimed
EP-1252140-B1 PYRROLECARBOXAMIDES AND PYRROLETHIOAMIDES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-05-13 EP claimed
EP-3500551-B1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2021-11-10 EP disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10683256-B2 Process for preparing substituted biphenyls BASF SE (DE) 2020-06-16 US disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
CN-111056950-A Method for preparing 3', 4' -dichloro-2-aminobiphenyl 广东石油化工学院 2020-04-24 CN disclosed
CN-111056950-A Method for preparing 3', 4' -dichloro-2-aminobiphenyl 广东石油化工学院 2020-04-24 CN disclosed
CN-111056950-A Method for preparing 3', 4' -dichloro-2-aminobiphenyl 广东石油化工学院 2020-04-24 CN disclosed
WO-2006121218-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 WO disclosed
EP-1713789-A1 2-HALOFURYL/THIENYL-3-CARBOXAMIDES Bayer CropScience Aktiengesellschaft (DE) 2006-10-25 EP disclosed
WO-2006097490-A1 NICOTINANILIDES METHOD FOR PRODUCTION THEREOF AND AGENTS COMPRISING THE SAME FOR PREVENTION OF FUNGAL PESTS BASF AKTIENGESELLSCHAFT (DE) 2006-09-21 WO disclosed
WO-2006087343-A1 PYRAZOLE CARBOXYLIC ACID ANILIDES, METHOD FOR THE PRODUCTION THEREOF AND AGENTS CONTAINING THEM FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-08-24 WO disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2005123689-A1 1-METHYL-3-TRIFLUOROMETHYL-PYRAZOLE-4-CARBOXYLIC ACID (ORTHO-PHENYL)-ANILIDES AND TO USE THEREOF AS FUNGICIDE BASF AKTIENGESELLSCHAFT (DE) 2005-12-29 WO disclosed
WO-2005075452-A1 2-HALOFURYL/THIENYL-3-CARBOXAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-08-18 WO disclosed
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 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 (4 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-10683256-B2 Process for preparing substituted biphenyls PIK3CA, PIK3CB, PIK3CG AHR 122/4885ALDH1A1 3096/4885HSD17B10 3163/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 AHR 954/4885ALDH1A1 2165/4885HSD17B10 1468/4885
US-20190210954-A1 Process for Preparing Substituted Biphenyls PIK3CA, PIK3CB, PIK3CG AHR 122/4885ALDH1A1 3096/4885HSD17B10 3163/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 AHR 1841/4885ALDH1A1 2221/4885HSD17B10 1602/4885

“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.