SCHEMBL31345870

SCHEMBL31345870

COc1c2c(c(CC=C(C)C)c(O)c1C(=O)c1ccc(O)cc1)OC(C)(C)C=C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.60
KDM4E B2RXH2 3/20 0.60
MEN1 O00255 3/20 0.60
USP2 O75604 3/20 0.60
MAPT P10636 3/20 0.60
ALOX15 P16050 3/20 0.60
KMT2A Q03164 3/20 0.60
HSD17B10 Q99714 2/20 0.60
ALDH1A1 P00352 4/20 0.58
SLCO1B3 Q9NPD5 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
SLCO1B1 Q9Y6L6 1/20 0.58
PTGES O14684 1/20 0.53
ALOX5 P09917 1/20 0.53
PTPN1 P18031 4/20 0.52
GAA P10253 2/20 0.52
HDAC3 O15379 2/20 0.52
TP53 P04637 2/20 0.52
MAPK1 P28482 2/20 0.52
HDAC4 P56524 2/20 0.52

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
SCHEMBL31345893 0.89 CYP3A4 (0.56) CYP3A4KDM4EMEN1USP2MAPT
SCHEMBL31345911 0.84 PTGES (0.60) CYP3A4KDM4EMEN1USP2MAPT
SCHEMBL22922172 0.81 CYP3A4 (0.57) CYP3A4KDM4EMEN1USP2MAPT
Vismiaphenone D SCHEMBL4003423 0.77 PTPN1 (0.58) MEN1MAPTKMT2APTGESALOX5
SCHEMBL31345881 0.76 CYP3A4 (0.55) CYP3A4KDM4EMEN1USP2MAPT
Lonchocarpic Acid SCHEMBL30260637 0.75 CYP3A4 (1.00) CYP3A4KDM4EMEN1USP2MAPT
Lonchocarpic Acid SCHEMBL12062109 0.75 CYP3A4 (1.00) CYP3A4KDM4EMEN1USP2MAPT
SCHEMBL31345868 0.75 PTPN1 (0.47) CYP3A4KDM4EMEN1USP2MAPT
Scandenin SCHEMBL12062082 0.73 CYP3A4 (1.00) CYP3A4KDM4EMEN1USP2MAPT
Scandenin SCHEMBL29375805 0.73 CYP3A4 (1.00) CYP3A4KDM4EMEN1USP2MAPT

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
WO-2025024478-A1 COMPOSITIONS FOR THE MODULATION OF TASTE IXORA SCIENTIFIC INC. (US) 2025-01-30 WO claimed
WO-2025024478-A1 COMPOSITIONS FOR THE MODULATION OF TASTE IXORA SCIENTIFIC INC. (US) 2025-01-30 WO disclosed