SCHEMBL17523259

SCHEMBL17523259

Cc1cc(OCc2ccccc2)c2c(c1)OC(c1ccc(OCc3ccccc3)c(F)c1)[C@H](O)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ S1PR5 Q9H228 1/20 0.39
▸ BACE1 P56817 4/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ KDM1A O60341 4/20 0.39
▸ GAA P10253 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ PKM P14618 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ APEX1 P27695 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ ALPL P05186 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ PTGS1 P23219 2/20 0.39
▸ PTGS2 P35354 2/20 0.39

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
SCHEMBL17523257 1.00 CYP3A4 (0.42) CYP3A4MAPK1MRGPRX4S1PR5BACE1
SCHEMBL16016915 0.91 CYP3A4 (0.44) CYP3A4MAPK1BACE1KDM4EGAA
SCHEMBL15450263 0.91 CYP3A4 (0.44) CYP3A4MAPK1BACE1KDM4EGAA
SCHEMBL15450266 0.91 CYP3A4 (0.44) CYP3A4MAPK1BACE1KDM4EGAA
SCHEMBL15450257 0.91 CYP3A4 (0.44) CYP3A4MAPK1BACE1KDM4EGAA
SCHEMBL17358249 0.90 CYP3A4 (0.43) CYP3A4MAPK1MRGPRX4BACE1KDM4E
SCHEMBL20169866 0.89 CYP3A4 (0.47) CYP3A4MAPK1S1PR5BACE1KDM4E
SCHEMBL20169883 0.89 CYP3A4 (0.47) CYP3A4MAPK1S1PR5BACE1KDM4E
SCHEMBL20169882 0.89 CYP3A4 (0.47) CYP3A4MAPK1S1PR5BACE1KDM4E
SCHEMBL20169865 0.89 CYP3A4 (0.47) CYP3A4MAPK1S1PR5BACE1KDM4E

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
US-9975869-B2 Analogues of epicatechin and related polyphenols SPHAERA PHARMA PVT. LTD. (IN) 2018-05-22 — — US disclosed
US-20160039781-A1 NOVEL ANALOGUES OF EPICATECHIN AND RELATED POLYPHENOLS SPHAERA PHARMA PVT. LTD. (SG) 2016-02-11 — — 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-20160039781-A1 NOVEL ANALOGUES OF EPICATECHIN AND RELATED POLYPHENOLS PGC, TEAD3, TEAD4 CYP3A4 518/4885MAPK1 2613/4885MRGPRX4 4193/4885

“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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