SCHEMBL25438233

SCHEMBL25438233

CCO[C@@H]1C(=O)c2c(OCOC)cc(OCOC)cc2O[C@H]1c1ccc(OCOC)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ ROR1 Q01973 1/20 0.50
▸ ABCB1 P08183 10/20 0.45
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ XDH P47989 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35

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
SCHEMBL25438234 1.00 ALDH1A1 (0.51) ALDH1A1ROR1ABCB1HDAC3HDAC4
SCHEMBL31162753 0.91 ALDH1A1 (0.53) ALDH1A1ROR1ABCB1HDAC3HDAC4
SCHEMBL31162964 0.81 ALDH1A1 (0.71) ALDH1A1ROR1HDAC3HDAC4HDAC1
SCHEMBL22529289 0.80 ALDH1A1 (0.41) ALDH1A1ABCB1MEN1KMT2AKDM4E
SCHEMBL31162797 0.80 ROR1 (0.56) ALDH1A1ROR1ABCB1HDAC3HDAC4
SCHEMBL30576318 0.77 ABCB1 (0.47) ALDH1A1ROR1ABCB1HDAC3HDAC4
SCHEMBL31162722 0.77 ABCB1 (0.47) ALDH1A1ROR1ABCB1HDAC3HDAC4
SCHEMBL23202794 0.77 ALDH1A1 (0.62) ALDH1A1ROR1XDHMEN1KMT2A
SCHEMBL30350332 0.77 ALDH1A1 (0.62) ALDH1A1ROR1XDHMEN1KMT2A
Quercetin Pentaethyl Ether SCHEMBL8656505 0.77 MEN1 (0.55) ALDH1A1MEN1KMT2AKDM4E

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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