SCHEMBL31322169

SCHEMBL31322169

COc1cc(-c2ccc(C3Oc4cc(O)cc(O)c4C(=O)C3O)cc2)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.69
▸ CYP3A4 P08684 4/20 0.60
▸ ALOX15 P16050 4/20 0.60
▸ MAPT P10636 4/20 0.60
▸ HSD17B10 Q99714 3/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ RECQL P46063 2/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ GAA P10253 2/20 0.60
▸ ALOX12 P18054 2/20 0.60
▸ HIF1A Q16665 2/20 0.60
▸ POLB P06746 2/20 0.60
▸ SOST Q9BQB4 2/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ CYP2C9 P11712 4/20 0.58
▸ SLCO1B3 Q9NPD5 4/20 0.58
▸ SLCO1B1 Q9Y6L6 4/20 0.58

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
SCHEMBL28997579 0.89 XDH (0.82) XDHCYP3A4ALOX15MAPTHSD17B10
SCHEMBL7694106 0.84 XDH (0.86) XDHCYP3A4ALOX15MAPTHSD17B10
Dihydroisorhamnetin SCHEMBL30915472 0.83 CYP2C9 (0.78) XDHCYP3A4ALOX15MAPTHSD17B10
Tamaraxetin SCHEMBL16887881 0.83 CYP3A4 (0.73) XDHCYP3A4ALOX15MAPTHSD17B10
Dihydroisorhamnetin SCHEMBL30255782 0.83 CYP2C9 (0.78) XDHCYP3A4ALOX15MAPTHSD17B10
Dihydroisorhamnetin SCHEMBL31237482 0.83 CYP2C9 (0.78) XDHCYP3A4ALOX15MAPTHSD17B10
SCHEMBL19789557 0.83 XDH (0.70) XDHCYP3A4ALOX15MAPTHSD17B10
Dihydroisorhamnetin SCHEMBL16887921 0.83 CYP2C9 (0.78) XDHCYP3A4ALOX15MAPTHSD17B10
Tamaraxetin SCHEMBL18235875 0.83 CYP3A4 (0.73) XDHCYP3A4ALOX15MAPTHSD17B10
Tamaraxetin SCHEMBL30256267 0.83 CYP3A4 (0.73) XDHCYP3A4ALOX15MAPTHSD17B10

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-4483866-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OR PREVENTION OF CANCER Makrolife Biotech GmbH (DE) 2025-01-01 — — EP claimed
EP-4483866-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OR PREVENTION OF CANCER Makrolife Biotech GmbH (DE) 2025-01-01 — — EP disclosed
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