SCHEMBL25434155

SCHEMBL25434155

COc1ccc([C@@H]2Oc3cc(O)ccc3C(=O)[C@H]2OC)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.50
▸ ESR2 Q92731 2/20 0.50
▸ PTPN1 P18031 2/20 0.49
▸ CYP19A1 P11511 4/20 0.48
▸ XDH P47989 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A1 P04798 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL25434157 1.00 ESR1 (0.50) ESR1ESR2PTPN1CYP19A1XDH
SCHEMBL31527879 0.89 ESR1 (0.53) ESR1ESR2PTPN1CYP19A1XDH
SCHEMBL30915486 0.89 MEN1 (0.53) ESR1ESR2PTPN1CYP19A1XDH
SCHEMBL26314138 0.88 KDM4E (0.46) CYP19A1XDHMAPTTP53CYP3A4
SCHEMBL31527950 0.88 KDM4E (0.46) CYP19A1XDHMAPTTP53CYP3A4
SCHEMBL30915484 0.87 IDO1 (0.56) ESR1ESR2PTPN1CYP19A1XDH
SCHEMBL31527857 0.86 ESR1 (0.66) ESR1ESR2PTPN1CYP19A1MAPT
SCHEMBL4660890 0.86 ESR1 (0.66) ESR1ESR2PTPN1CYP19A1MAPT
3,4'-O-Dimethylquercetin SCHEMBL25437988 0.84 CYP3A4 (0.60) CYP19A1XDHMAPTTP53CYP3A4
3,4'-O-Dimethylquercetin SCHEMBL25437986 0.84 CYP3A4 (0.60) CYP19A1XDHMAPTTP53CYP3A4

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
US-20250134146-A1 FLAVANONE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH INCORPORATED (US) 2025-05-01 — — US disclosed
CN-118829632-A Flavanone compounds and their use as flavor modifiers 弗门尼舍公司 2024-10-22 — — CN disclosed
WO-2023172394-A1 FLAVANONE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH INCORPORATED (US) 2023-09-14 — — WO disclosed
WO-2023172394-A1 FLAVANONE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH INCORPORATED (US) 2023-09-14 — — WO disclosed
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