SCHEMBL728977

SCHEMBL728977

OB(O)c1ccc2cc3ccccc3cc2c1B(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALDH1A1 P00352 7/20 0.40
HSD17B10 Q99714 4/20 0.40
HIF1A Q16665 2/20 0.40
CYP1B1 Q16678 1/20 0.40
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
NQO1 P15559 1/20 0.35
CYP1A2 P05177 4/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CYP2A6 P11509 1/20 0.34
GLA P06280 1/20 0.34
CYP2C19 P33261 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL30442333 1.00 CA1 (0.44) CA1CA2ALDH1A1HSD17B10HIF1A
SCHEMBL5432699 0.82 CYP2A6 (0.46) CA1CA2ALDH1A1HSD17B10HIF1A
SCHEMBL28558636 0.80 MEN1 (0.43) CA1CA2ALDH1A1HSD17B10HIF1A
SCHEMBL829841 0.78 ALDH1A1 (0.46) CA1CA2ALDH1A1HSD17B10HIF1A
SCHEMBL28715754 0.77 ALDH1A1 (0.47) CA1CA2ALDH1A1HSD17B10HIF1A
SCHEMBL182202 0.76 CYP1A2 (0.44) CA1CA2ALDH1A1HSD17B10HIF1A
SCHEMBL29243114 0.76 ALDH1A1 (0.46) CA1CA2ALDH1A1HSD17B10HIF1A
SCHEMBL28395769 0.75 CA1 (0.43) CA1CA2ALDH1A1HSD17B10HIF1A
SCHEMBL5722124 0.75 MEN1 (0.39) CA1CA2ALDH1A1KDM4EHPGD
SCHEMBL29414927 0.74 HSD17B10 (0.46) CA1CA2ALDH1A1HSD17B10HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8137822-B2 Synthesis of phenyl-substituted polyfluoroanthenes and the use thereof BASF AKTIENGESELLSCHAFT (DE) 2012-03-20 US claimed
EP-1877518-B1 SYNTHESIS OF PHENYL-SUBSTITUTED POLYFLUOROANTHENES AND THE USE THEREOF BASF SE (DE) 2010-02-24 EP claimed
US-20080213623-A1 7,10-bis(acryloyl, styryl, or glycidyl-substituted phenyl)fluoranthene polymerized in the presence of a nickel or palladium catalyst; photopolymerized after applied to film substrate for organic light-emitting diodes; improved stability, high efficiency and quantum yield, emission maximum in blue region BASF AKTIENGESELLSCHAFT (DE) 2008-09-04 US claimed
US-20070287821-A1 Synthesis of Polynaphthalenes and Their Use BASF AKTIENGESELLSCHAFT (DE) 2007-12-13 US claimed
WO-2023085617-A1 STRUCTURE COMPRISING ANTHRACENEDIBORONIC ACID-BASED COMPOUND FOR DETECTING GLUCOSE, PREPARATION METHOD THEREFOR, AND USE THEREOF 재단법인 대구경북첨단의료산업진흥재단 2023-05-19 WO disclosed
US-8137822-B2 Synthesis of phenyl-substituted polyfluoroanthenes and the use thereof BASF AKTIENGESELLSCHAFT (DE) 2012-03-20 US disclosed
US-20080213623-A1 7,10-bis(acryloyl, styryl, or glycidyl-substituted phenyl)fluoranthene polymerized in the presence of a nickel or palladium catalyst; photopolymerized after applied to film substrate for organic light-emitting diodes; improved stability, high efficiency and quantum yield, emission maximum in blue region BASF AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20070287821-A1 Synthesis of Polynaphthalenes and Their Use BASF AKTIENGESELLSCHAFT (DE) 2007-12-13 US disclosed