SCHEMBL6982736

SCHEMBL6982736

C/C=C/c1cc(F)cc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.52
PTGS2 P35354 3/20 0.52
NFE2L2 Q16236 3/20 0.39
CNR2 P34972 1/20 0.38
BACE1 P56817 1/20 0.37
CYP3A4 P08684 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP17A1 P05093 1/20 0.35
CYP21A2 P08686 1/20 0.35
CYP11B1 P15538 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
NQO2 P16083 1/20 0.34
ATM Q13315 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL16962236 0.85 PTGS1 (0.45) PTGS1PTGS2NFE2L2CNR2CYP3A4
SCHEMBL5387223 0.84 PTGS1 (0.39) PTGS1PTGS2NFE2L2CNR2CYP3A4
SCHEMBL5387218 0.84 PTGS1 (0.39) PTGS1PTGS2NFE2L2CNR2CYP3A4
SCHEMBL16957514 0.80 PTGS1 (0.37) PTGS1PTGS2NFE2L2
SCHEMBL294120 0.77 PTGS1 (0.44) PTGS1PTGS2NFE2L2BACE1CYP3A4
SCHEMBL3619438 0.76 TUBB1 (0.48) PTGS1PTGS2NFE2L2CNR2CYP3A4
SCHEMBL3619434 0.76 TUBB1 (0.48) PTGS1PTGS2NFE2L2CNR2CYP3A4
SCHEMBL14634506 0.75 NFE2L2 (0.74) PTGS1PTGS2NFE2L2CYP3A4KDM4E
SCHEMBL8175617 0.75 NFE2L2 (0.74) PTGS1PTGS2NFE2L2CYP3A4KDM4E
SCHEMBL257117 0.75 NFE2L2 (0.74) PTGS1PTGS2NFE2L2CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180011405-A1 RESIST UNDERLAYER FILM COMPOSITION, PATTERNING PROCESS, METHOD FOR FORMING RESIST UNDERLAYER FILM, AND COMPOUND FOR RESIST UNDERLAYER FILM COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-01-11 US disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
EP-1900792-B1 Fluorine phenyl compounds for liquid crystalline mixtures MERCK PATENT GMBH (DE) 2010-08-04 EP disclosed
US-7767277-B2 Fluorophenyl compounds for liquid-crystalline mixtures MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-03 US disclosed
US-7767277-B2 Fluorophenyl compounds for liquid-crystalline mixtures MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-03 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20080132716-A1 difluoromethyleneoxy group bridge on fluorinated biphenyl and fluorinated phenyl group; electro-optical displays; high dielectric anisotropy, high clearing point and low rotational viscosity; photochemically stable, heat resistance; chemical intermediates MERCK PATENT GMBH 2008-06-05 US disclosed
US-20080132716-A1 difluoromethyleneoxy group bridge on fluorinated biphenyl and fluorinated phenyl group; electro-optical displays; high dielectric anisotropy, high clearing point and low rotational viscosity; photochemically stable, heat resistance; chemical intermediates MERCK PATENT GMBH 2008-06-05 US disclosed
EP-1900792-A1 Fluorine phenyl compounds for liquid crystalline mixtures Merck Patent GmbH (DE) 2008-03-19 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
EP-1320529-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-25 EP disclosed
WO-2002024684-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-03-28 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 (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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 PTGS1 2343/4885PTGS2 3718/4885NFE2L2 920/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 PTGS1 298/4885PTGS2 1232/4885NFE2L2 598/4885
US-20080132716-A1 difluoromethyleneoxy group bridge on fluorinated biphenyl and fluorinated phenyl group; electro-optical displays; high dielectric anisotropy, high clearing point and low rotational viscosity; photochemically stable, heat resistance; chemical intermediates FLNB, FLNA, BRAF PTGS1 3265/4885PTGS2 3425/4885NFE2L2 1238/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 PTGS1 711/4885PTGS2 1666/4885NFE2L2 888/4885

“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.