SCHEMBL29501694

SCHEMBL29501694

COc1cc(C2CC(=O)c3c(OC)cc(O)cc3O2)ccc1O

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 4/20 0.87
CYP1A2 P05177 4/20 0.87
CYP1B1 Q16678 4/20 0.87
POLB P06746 2/20 0.87
CYP19A1 P11511 4/20 0.71
TP53 P04637 3/20 0.71
CYP3A4 P08684 3/20 0.71
MAPT P10636 3/20 0.71
ALDH1A1 P00352 3/20 0.71
XDH P47989 2/20 0.71
HPGD P15428 2/20 0.71
PKM P14618 2/20 0.71
CA12 O43570 2/20 0.71
CA4 P22748 2/20 0.71
MAPK1 P28482 2/20 0.71
CYP2C19 P33261 2/20 0.71
CA7 P43166 2/20 0.71
HSD17B10 Q99714 2/20 0.71
ATM Q13315 2/20 0.71
SMN1; SMN2 Q16637 1/20 0.71

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
SCHEMBL28464154 1.00 CYP1A1 (0.87) CYP1A1CYP1A2CYP1B1POLBCYP19A1
Homoeriodictyol SCHEMBL2307702 0.93 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1POLBCYP19A1
Homoeriodictyol SCHEMBL30016824 0.93 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1POLBCYP19A1
Homoeriodictyol SCHEMBL39497 0.93 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1POLBCYP19A1
Homoeriodictyol SCHEMBL29411740 0.93 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1POLBCYP19A1
Homoeriodictyol SCHEMBL30383489 0.93 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1POLBCYP19A1
SCHEMBL2305087 0.93 CYP19A1 (0.75) CYP1A1CYP1A2CYP1B1POLBCYP19A1
SCHEMBL29366573 0.93 CYP19A1 (0.75) CYP1A1CYP1A2CYP1B1POLBCYP19A1
Homoeriodictyol SCHEMBL2019518 0.92 CYP1A1 (0.98) CYP1A1CYP1A2CYP1B1POLBCYP19A1
Homoeriodictyol SCHEMBL2024548 0.92 CYP1A1 (0.98) CYP1A1CYP1A2CYP1B1POLBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111718318-B Method for separating flavone monomer in spina gleditsiae based on countercurrent chromatography 山东省分析测试中心 2022-04-22 CN claimed
CN-111718318-B Method for separating flavone monomer in spina gleditsiae based on countercurrent chromatography 山东省分析测试中心 2022-04-22 CN disclosed