SCHEMBL29396102

SCHEMBL29396102

COc1cc2ccc(=O)oc2c(O)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 9/20 1.00
CA12 O43570 8/20 1.00
CA1 P00915 8/20 1.00
CA7 P43166 8/20 1.00
CA13 Q8N1Q1 8/20 1.00
KDM4E B2RXH2 7/20 0.77
HSD17B10 Q99714 6/20 0.77
MCL1 Q07820 6/20 0.77
ALDH1A1 P00352 5/20 0.77
HPGD P15428 5/20 0.77
CASP1 P29466 3/20 0.77
CASP7 P55210 3/20 0.77
CYP2C19 P33261 3/20 0.77
MAPT P10636 3/20 0.77
TDP1 Q9NUW8 3/20 0.77
MEN1 O00255 3/20 0.77
KMT2A Q03164 3/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
CYP2C9 P11712 2/20 0.77
CA2 P00918 2/20 0.77

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
SCHEMBL3190311 1.00 CA9 (1.00) CA9CA12CA1CA7CA13
Methoxymethane SCHEMBL2253445 0.98 CA9 (0.97) CA9CA12CA1CA7CA13
SCHEMBL3924718 0.88 CA9 (0.78) CA9CA12CA1CA7CA13
SCHEMBL30098746 0.88 CA9 (0.78) CA9CA12CA1CA7CA13
Fraxetin SCHEMBL43472 0.87 CA9 (1.00) CA9CA12CA1CA7CA13
SCHEMBL4659463 0.87 CA9 (0.77) CA9CA12CA1CA7CA13
Fraxetin SCHEMBL30010613 0.87 CA9 (1.00) CA9CA12CA1CA7CA13
SCHEMBL30152059 0.86 CA9 (0.75) CA9CA12CA1CA7CA13
Fraxidin Methyl Ether SCHEMBL2464275 0.85 CA9 (1.00) CA9CA12CA1CA7CA13
SCHEMBL14296936 0.83 CA9 (0.79) CA9CA12CA1CA7CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119752834-A Oxygen methyl transferase and application thereof in biosynthesis of isofraxidin and fraxidin 中国农业科学院深圳农业基因组研究所(岭南现代农业科学与技术广东省实验室深圳分中心) 2025-04-04 CN disclosed
CN-109195603-B Treatment of cancer with TG02 科瑞华生物技术有限公司 2022-11-08 CN disclosed
CN-114096213-A Methods, devices and compositions for topical delivery 聚合-医药有限公司 2022-02-25 CN disclosed