SCHEMBL4973133

SCHEMBL4973133

O=C(O)c1cccc(C#Cc2cccc(C(=O)O)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA6 P23280 1/20 0.56
CA9 Q16790 1/20 0.56
KMO O15229 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
DAO P14920 1/20 0.50
TSHR P16473 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
UNG P13051 1/20 0.50
SLC7A11 Q9UPY5 1/20 0.50
HNF4A P41235 1/20 0.48
FOLH1 Q04609 1/20 0.48
AKR1C3 P42330 1/20 0.48
SLC16A3 O15427 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL1927619 0.96 SLC7A11 (0.55) CA12CA1CA2CA6CA9
SCHEMBL2747196 0.92 RARB (0.53) CA12CA1CA2CA6CA9
SCHEMBL10412856 0.91 CA12 (0.52) CA12CA1CA2CA6CA9
SCHEMBL16719361 0.90 GRM5 (0.55) CA12CA1CA2CA6CA9
Hydrochloric Acid SCHEMBL6923419 0.90 RARB (0.51) CA12CA1CA2CA6CA9
SCHEMBL14758953 0.89 SLC16A3 (0.51) CA12CA1CA2CA6CA9
SCHEMBL29488328 0.88 CA12 (0.48) CA12CA1CA2CA6CA9
SCHEMBL27974625 0.88 CA12 (0.48) CA12CA1CA2CA6CA9
SCHEMBL13780436 0.88 CA12 (0.48) CA12CA1CA2CA6CA9
SCHEMBL17014849 0.87 SLC16A3 (0.47) CA12CA1CA2CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4367329-A Polyaromatic amides having acetylene groupings curable by Diels-Alder cycloaddition THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1983-01-04 US claimed
US-4356292-A FROM ACID CHLORIDE OF BIS-M-CARBOXYPHENYLACETYLENE, DIPHENYL ETHER, ISOPHTHALOYL CHLORIDE, 4,4'-DIPHENOXYDIPHENYL SULFONE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1982-10-26 US claimed
EP-0980016-B1 ALIGNING AGENT FOR LIQUID CRYSTAL NISSAN CHEMICAL IND LTD (JP) 2008-09-24 EP disclosed
EP-1333050-B1 MATERIAL FOR INSULATING FILM, COATING VARNISH FOR INSULATING FILM, AND INSULATING FILM AND SEMICONDUCTOR DEVICE USING THE SAME SUMITOMO BAKELITE CO (JP) 2006-12-27 EP disclosed
US-7049371-B2 Material for an insulating film, coating varnish for an insulating film, and insulating film and semiconductor device using the same SUMITOMO BAKELITE COMPANY, LTD. (JP) 2006-05-23 US disclosed
US-20040002572-A1 Material for an insulating film, coating varnish for an insulating film, and insulating film and semiconductor device using the same SUMITOMO BAKELITE COMPANY, LTD. (JP) 2004-01-01 US disclosed
EP-1333050-A1 MATERIAL FOR INSULATING FILM, COATING VARNISH FOR INSULATING FILM, AND INSULATING FILM AND SEMICONDUCTOR DEVICE USING THE SAME SUMITOMO BAKELITE CO., LTD. (JP) 2003-08-06 EP disclosed
EP-1327653-A1 HEAT-RESISTANT RESIN PRECURSOR, HEAT-RESISTANT RESIN AND INSULATING FILM AND SEMICONDUCTOR DEVICE SUMITOMO BAKELITE CO., LTD. (JP) 2003-07-16 EP disclosed
US-6518390-B2 Polybenzoxazole and crosslinking agent SUMITOMO BAKELITE COMPANY, LTD. (JP) 2003-02-11 US disclosed
US-20020013443-A1 Precursor of a heat resistant resin, heat resistant resin, insulating film and semiconductor device SUMITOMO BAKELITE CO., LTD. (JP) 2002-01-31 US disclosed
EP-0980016-A1 ALIGNING AGENT FOR LIQUID CRYSTAL Nissan Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
US-4367329-A Polyaromatic amides having acetylene groupings curable by Diels-Alder cycloaddition THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1983-01-04 US disclosed
US-4367329-A Polyaromatic amides having acetylene groupings curable by Diels-Alder cycloaddition THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1983-01-04 US disclosed
US-4356292-A FROM ACID CHLORIDE OF BIS-M-CARBOXYPHENYLACETYLENE, DIPHENYL ETHER, ISOPHTHALOYL CHLORIDE, 4,4'-DIPHENOXYDIPHENYL SULFONE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1982-10-26 US disclosed
US-4356292-A FROM ACID CHLORIDE OF BIS-M-CARBOXYPHENYLACETYLENE, DIPHENYL ETHER, ISOPHTHALOYL CHLORIDE, 4,4'-DIPHENOXYDIPHENYL SULFONE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1982-10-26 US disclosed