SCHEMBL31345893

SCHEMBL31345893

CC(C)=CCc1c(O)c(C(=O)c2ccc(O)cc2)c(O)c2c1OC(C)(C)C=C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.56
MEN1 O00255 5/20 0.56
ALDH1A1 P00352 5/20 0.56
MAPT P10636 5/20 0.56
KMT2A Q03164 5/20 0.56
USP2 O75604 4/20 0.56
ALOX15 P16050 4/20 0.56
PTPN1 P18031 4/20 0.56
TP53 P04637 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HDAC3 O15379 2/20 0.56
MAPK1 P28482 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56

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
SCHEMBL31345870 0.89 CYP3A4 (0.60) CYP3A4MEN1ALDH1A1MAPTKMT2A
SCHEMBL31345881 0.83 CYP3A4 (0.55) CYP3A4MEN1ALDH1A1MAPTKMT2A
SCHEMBL29907891 0.79 MEN1 (0.63) CYP3A4MEN1ALDH1A1MAPTKMT2A
SCHEMBL15704298 0.79 MEN1 (0.63) CYP3A4MEN1ALDH1A1MAPTKMT2A
SCHEMBL31345911 0.76 PTGES (0.60) CYP3A4MEN1ALDH1A1MAPTKMT2A
SCHEMBL16259003 0.74 ODC1 (0.54) CYP3A4MEN1ALDH1A1MAPTKMT2A
Warangalone SCHEMBL571534 0.72 PTPN1 (0.86) CYP3A4MEN1ALDH1A1MAPTKMT2A
Osajin SCHEMBL571689 0.72 PTPN1 (1.00) CYP3A4MEN1ALDH1A1MAPTKMT2A
Lupinifolinol SCHEMBL6668491 0.72 PTPN1 (0.50) CYP3A4MEN1ALDH1A1MAPTKMT2A
Cariphenone A SCHEMBL31345857 0.72 MAPT (0.48) CYP3A4MEN1ALDH1A1MAPTKMT2A

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