SCHEMBL9617044

SCHEMBL9617044

O=C(O)C(c1ccccc1)(c1ccccc1)C(C(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 4/20 0.45
TSHR P16473 4/20 0.45
CES1 P23141 2/20 0.45
KCNN4 O15554 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL9342007 0.87 CYP1A2 (0.50) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL4591516 0.85 CYP1A2 (0.48) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL9240909 0.85 MAPT (0.50) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL14354433 0.85 MAPT (0.50) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL28380853 0.83 MAPT (0.48) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL226184 0.77 CYP1A2 (0.56) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL27642 0.77 CYP1A2 (0.56) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL45520 0.77 CYP1A2 (0.56) CYP1A2CYP2D6MAPTKMT2AALDH1A1
Benzylic Acid SCHEMBL7066 0.74 CYP2C9 (0.74) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL21269074 0.74 CYP1A2 (0.54) CYP1A2CYP2D6MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4007303-A None JP disclosed
WO-2025026419-A1 POLYBENZIMIDAZOLE, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国石油化工股份有限公司 2025-02-06 WO disclosed
JP-H047303-A PREPARATION OF DIENE POLYMER JAPAN SYNTHETIC RUBBER CO LTD 1992-01-10 JP disclosed
US-4983653-A Polyester shrinkable film containing benzotriazole DIAFOIL COMPANY, LTD. (JP) 1991-01-08 US disclosed
US-4389472-A PLASTIC LAMINATION AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1983-06-21 US disclosed
US-4229556-A REACTION PRODUCT OF SUBSTITUTED ACRYLIC ACID DERIVATIVE AND TETRA-ARYL SUCCINIC ACID DINITRILE BAYER AKTIENGESELLSCHAFT (DE) 1980-10-21 US disclosed
US-4219626-A Accelerators for radical polymerization reactions with initiators free from peroxide groups BAYER AKTIENGESELLSCHAFT (DE) 1980-08-26 US disclosed
US-4219674-A FREE RADICAL POLYMERIZATION BAYER AKTIENGESELLSCHAFT (DE) 1980-08-26 US disclosed
US-4160828-A ANTIINFLAMMATORY AND ANTIRHEUMATIC HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-10 US disclosed
US-4091095-A DIALKYLPHOSPHINYL-ALKYL ESTER OF A 2-(ARYL-AMINO) BENZOIC ACID, ANALGESICS HOECHST AKTIENGESELLSCHAFT (DT) 1978-05-23 US disclosed