SCHEMBL13507688

SCHEMBL13507688

O[C@@H]1Cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ ABCB1 P08183 2/20 0.47
▸ STING1 Q86WV6 1/20 0.43
▸ BACE1 P56817 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ PKM P14618 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ APEX1 P27695 2/20 0.42
▸ RECQL P46063 2/20 0.42
▸ ALPL P05186 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ PTGS1 P23219 2/20 0.42
▸ PTGS2 P35354 2/20 0.42
▸ APP P05067 1/20 0.42

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
SCHEMBL13507373 1.00 CYP3A4 (0.50) CYP3A4MAPK1ABCB1STING1BACE1
SCHEMBL30141059 1.00 CYP3A4 (0.50) CYP3A4MAPK1ABCB1STING1BACE1
SCHEMBL9101384 1.00 CYP3A4 (0.50) CYP3A4MAPK1ABCB1STING1BACE1
SCHEMBL30141075 1.00 CYP3A4 (0.50) CYP3A4MAPK1ABCB1STING1BACE1
SCHEMBL13507904 1.00 CYP3A4 (0.50) CYP3A4MAPK1ABCB1STING1BACE1
SCHEMBL4640426 1.00 CYP3A4 (0.50) CYP3A4MAPK1ABCB1STING1BACE1
SCHEMBL24983638 1.00 CYP3A4 (0.50) CYP3A4MAPK1ABCB1STING1BACE1
SCHEMBL3669026 1.00 CYP3A4 (0.50) CYP3A4MAPK1ABCB1STING1BACE1
SCHEMBL13117276 0.91 CYP3A4 (0.58) CYP3A4MAPK1ABCB1STING1BACE1
SCHEMBL9103972 0.91 CYP3A4 (0.58) CYP3A4MAPK1ABCB1STING1BACE1

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
WO-2023288020-A1 COMPOSITIONS AND METHODS FOR ANTIOXIDANT AND ANTI-INFLAMMATORY THERAPEUTICS AVANTI BIOSCIENCES INC. (US) 2023-01-19 — — WO disclosed
US-20100048920-A1 Preparation of (+)-Catechin, (-)-Epicatechin, (-)-Catechin, and (+)-Epicatechin and Their 5,7,3',4'-Tetra-O-Benzyl Analogues MARS, INCORPORATED (US) 2010-02-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048920-A1 Preparation of (+)-Catechin, (-)-Epicatechin, (-)-Catechin, and (+)-Epicatechin and Their 5,7,3',4'-Tetra-O-Benzyl Analogues HAAO, TES, HPD CYP3A4 249/4885MAPK1 2235/4885ABCB1 2123/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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