SCHEMBL25436515

SCHEMBL25436515

COCOc1cc([C@@H]2Oc3cccc(OCOC)c3C(=O)[C@H]2OC)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ XDH P47989 1/20 0.41
▸ ABCB1 P08183 5/20 0.40
▸ ROR1 Q01973 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL25436520 1.00 ALDH1A1 (0.45) ALDH1A1XDHABCB1ROR1KDM4E
SCHEMBL25434803 0.87 ALDH1A1 (0.61) ALDH1A1XDHKDM4EACHEHPGD
SCHEMBL25434797 0.87 ALDH1A1 (0.61) ALDH1A1XDHKDM4EACHEHPGD
SCHEMBL31162753 0.83 ALDH1A1 (0.53) ALDH1A1XDHABCB1ROR1KDM4E
SCHEMBL25435677 0.81 CYP19A1 (0.47) ALDH1A1ROR1KDM4EHPGD
SCHEMBL25435681 0.81 CYP19A1 (0.47) ALDH1A1ROR1KDM4EHPGD
SCHEMBL31162797 0.76 ROR1 (0.56) ALDH1A1ABCB1ROR1MEN1KMT2A
SCHEMBL31613485 0.75 XDH (0.47) ALDH1A1XDHGSK3BACHEHPGD
SCHEMBL31162803 0.75 XDH (0.47) ALDH1A1XDHGSK3BACHEHPGD
SCHEMBL31162964 0.74 ALDH1A1 (0.71) ALDH1A1XDHROR1KDM4EACHE

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 3 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
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