SCHEMBL30098746

SCHEMBL30098746

COc1cc2ccc(=O)oc2c(OC)c1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 9/20 0.78
CA12 O43570 8/20 0.78
CA1 P00915 8/20 0.78
CA7 P43166 8/20 0.78
CA13 Q8N1Q1 8/20 0.78
KDM4E B2RXH2 6/20 0.77
HSD17B10 Q99714 5/20 0.77
MCL1 Q07820 5/20 0.77
ALDH1A1 P00352 4/20 0.77
HPGD P15428 4/20 0.77
MEN1 O00255 3/20 0.77
KMT2A Q03164 3/20 0.77
CASP1 P29466 3/20 0.77
CASP7 P55210 3/20 0.77
CYP2C19 P33261 3/20 0.77
MAPK1 P28482 2/20 0.77
MAPT P10636 2/20 0.77
CYP2C9 P11712 2/20 0.77
TDP1 Q9NUW8 2/20 0.77
SMN1; SMN2 Q16637 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
SCHEMBL3924718 1.00 CA9 (0.78) CA9CA12CA1CA7CA13
SCHEMBL3190311 0.88 CA9 (1.00) CA9CA12CA1CA7CA13
SCHEMBL29396102 0.88 CA9 (1.00) CA9CA12CA1CA7CA13
Fraxetin SCHEMBL43472 0.87 CA9 (1.00) CA9CA12CA1CA7CA13
Fraxetin SCHEMBL30010613 0.87 CA9 (1.00) CA9CA12CA1CA7CA13
Methoxymethane SCHEMBL2253445 0.86 CA9 (0.97) CA9CA12CA1CA7CA13
SCHEMBL30152142 0.86 CA9 (0.66) CA9CA12CA1CA7CA13
SCHEMBL14296936 0.86 CA9 (0.79) CA9CA12CA1CA7CA13
Fraxidin Methyl Ether SCHEMBL2464275 0.85 CA9 (1.00) CA9CA12CA1CA7CA13
SCHEMBL16015213 0.84 CA9 (0.77) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115536932-A Halogen-free flame-retardant insulating cable material and preparation method thereof 国网河南省电力公司镇平县供电公司 2022-12-30 CN claimed
CN-121197135-A Use of MMP-7 inhibitors in the treatment of acute ischemic stroke diseases 广州市花都区人民医院 2025-12-26 CN disclosed
CN-118806751-A Application of isofraxidin in preparing medicine for preventing or treating radioactive testis injury 中国人民解放军军事科学院军事医学研究院 2024-10-22 CN disclosed
CN-115536932-A Halogen-free flame-retardant insulating cable material and preparation method thereof 国网河南省电力公司镇平县供电公司 2022-12-30 CN disclosed