SCHEMBL6561050

SCHEMBL6561050

N#Cc1ccccc1-c1ccc(C(Cl)(Cl)Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.59
PTPN5 P54829 1/20 0.58
AR P10275 2/20 0.43
TRPA1 O75762 1/20 0.42
TSHR P16473 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
PPARG P37231 2/20 0.39
ACHE P22303 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GALR3 O60755 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6951936 0.83 ESR2 (0.61) ESR2PTPN5ARTRPA1TSHR
SCHEMBL31410710 0.82 ESR2 (0.76) ESR2PTPN5ARTRPA1TSHR
SCHEMBL6561038 0.81 PTPN5 (0.67) ESR2PTPN5ARTRPA1TSHR
SCHEMBL19797926 0.81 ESR2 (0.59) ESR2PTPN5ARTRPA1TSHR
SCHEMBL7599697 0.80 ESR2 (0.58) ESR2PTPN5ARTRPA1GABRG2
SCHEMBL11842577 0.79 PTPN5 (0.56) ESR2PTPN5GABRG2GABRB3GABRA5
SCHEMBL1541402 0.79 ESR2 (0.66) ESR2PTPN5TRPA1GABRG2GABRB3
SCHEMBL2016996 0.78 ESR2 (0.70) ESR2PTPN5TRPA1TSHRGABRG2
SCHEMBL29662886 0.78 ESR2 (0.69) ESR2PTPN5TRPA1TSHRGABRG2
SCHEMBL223 0.78 ESR2 (0.69) ESR2PTPN5TRPA1TSHRGABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1223158-B1 Process for preparing trifluoromethyl substituted biphenyl carboxylic acids and novel trichloromethyl and trifluoromethyl substituted biphenyl nitriles BAYER CHEMICALS AG (DE) 2004-08-11 EP claimed
EP-1223158-B1 Process for preparing trifluoromethyl substituted biphenyl carboxylic acids and novel trichloromethyl and trifluoromethyl substituted biphenyl nitriles BAYER CHEMICALS AG (DE) 2004-08-11 EP disclosed
JP-2004067521-A METHOD FOR PRODUCING 2-CARBOXY-4'-(TRIFLUOROMETHYL)BIPHENYL ASAHI GLASS CO LTD 2004-03-04 JP disclosed
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-6580002-B2 Dihalo-, cyano- and methyl- substituted biphenyl chemical intermediates BAYER AKTIENGESELLSCHAFT (DE) 2003-06-17 US disclosed
US-20030055285-A1 Process for the preparation of trifiuoromethyl-substituted biphenylcarboxylic acids and novel trichloromethyl-and trifluoromethyl-substituted biphenylcarbonitriles LANXESS DEUTSCHLAND GMBH (DE) 2003-03-20 US disclosed
US-6465688-B2 CONVERTING METHYL-SUBSTITUTED BIPHENYLCARBONITRILES TO A TRICHLOROMETHYL- AND HYDROLYZING TO CORRESPONDING CARBOXY ACIDS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-15 US disclosed
US-20020095052-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYL-SUBSTITUTED BIPHENYLCARBOXYLIC ACIDS AND NOVEL TRICHLOROMETHYL - AND TRIFLUOROMETHYL - SUBSTITUTED BIPHENYLCARBONITRILES LANXESS DEUTSCHLAND GMBH (DE) 2002-07-18 US disclosed
EP-1223158-A1 Process for preparing trifluoromethyl substituted biphenyl carboxylic acids and novel trichloromethyl and trifluoromethyl substituted biphenyl nitriles Bayer Aktiengesellschaft (DE) 2002-07-17 EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 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 (2 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-20030055285-A1 Process for the preparation of trifiuoromethyl-substituted biphenylcarboxylic acids and novel trichloromethyl-and trifluoromethyl-substituted biphenylcarbonitriles CPSF1, CYP2F1, CYP4F2 ESR2 3683/4885PTPN5 2170/4885AR 3863/4885
US-20020095052-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYL-SUBSTITUTED BIPHENYLCARBOXYLIC ACIDS AND NOVEL TRICHLOROMETHYL - AND TRIFLUOROMETHYL - SUBSTITUTED BIPHENYLCARBONITRILES MCCC2, CYP2F1, CYP4F2 ESR2 2903/4885PTPN5 2557/4885AR 3119/4885

“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.