SCHEMBL31088180

SCHEMBL31088180

COc1ccc([C@@H]2Oc3cccc(O)c3C(=O)C2O)cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.58
▸ ACHE P22303 1/20 0.55
▸ CYP3A4 P08684 4/20 0.54
▸ ALOX15 P16050 4/20 0.54
▸ MAPT P10636 3/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ RECQL P46063 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ ALOX12 P18054 2/20 0.54
▸ HIF1A Q16665 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ SOST Q9BQB4 1/20 0.54
▸ SYNJ2 O15056 2/20 0.51

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
Tamaraxetin SCHEMBL30256267 0.87 CYP3A4 (0.73) XDHALDH1A1CYP3A4ALOX15MAPT
SCHEMBL31613485 0.87 XDH (0.47) XDHALDH1A1ACHECYP3A4MAPT
Tamaraxetin SCHEMBL16887881 0.87 CYP3A4 (0.73) XDHALDH1A1CYP3A4ALOX15MAPT
SCHEMBL31162803 0.87 XDH (0.47) XDHALDH1A1ACHECYP3A4MAPT
Tamaraxetin SCHEMBL18235875 0.87 CYP3A4 (0.73) XDHALDH1A1CYP3A4ALOX15MAPT
SCHEMBL28302550 0.86 ALDH1A1 (0.71) XDHALDH1A1ACHECYP3A4ALOX15
SCHEMBL28213500 0.86 ALDH1A1 (0.71) XDHALDH1A1ACHECYP3A4ALOX15
SCHEMBL18602048 0.84 MAPT (0.73) XDHALDH1A1CYP3A4ALOX15MAPT
SCHEMBL31088169 0.83 MEN1 (0.59) XDHALDH1A1ACHECYP3A4MAPT
SCHEMBL30915484 0.80 IDO1 (0.56) XDHALDH1A1ACHECYP3A4ALOX15

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
EP-4630413-A1 FLAVANONE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS Firmenich Incorporated (US) 2025-10-15 — — EP disclosed
WO-2024177901-A1 FLAVANONE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH INCORPORATED (US) 2024-08-29 — — WO disclosed
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