SCHEMBL13117276

SCHEMBL13117276

O[C@@H]1Cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@H]1c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ ABCB1 P08183 2/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ PTGS1 P23219 2/20 0.45
▸ PTGS2 P35354 2/20 0.45
▸ SYNJ2 O15056 1/20 0.45
▸ MAOB P27338 4/20 0.44
▸ MAOA P21397 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 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
SCHEMBL9103972 1.00 CYP3A4 (0.58) CYP3A4MAPK1ABCB1MEN1KMT2A
SCHEMBL9102504 1.00 CYP3A4 (0.58) CYP3A4MAPK1ABCB1MEN1KMT2A
SCHEMBL9100900 0.95 CYP3A4 (0.54) CYP3A4MAPK1ABCB1MEN1KMT2A
SCHEMBL24983638 0.91 CYP3A4 (0.50) CYP3A4MAPK1ABCB1MEN1KMT2A
SCHEMBL13507373 0.91 CYP3A4 (0.50) CYP3A4MAPK1ABCB1MEN1KMT2A
SCHEMBL13507904 0.91 CYP3A4 (0.50) CYP3A4MAPK1ABCB1MEN1KMT2A
SCHEMBL3669026 0.91 CYP3A4 (0.50) CYP3A4MAPK1ABCB1MEN1KMT2A
SCHEMBL9101384 0.91 CYP3A4 (0.50) CYP3A4MAPK1ABCB1MEN1KMT2A
SCHEMBL13507688 0.91 CYP3A4 (0.50) CYP3A4MAPK1ABCB1MEN1KMT2A
SCHEMBL4640426 0.91 CYP3A4 (0.50) CYP3A4MAPK1ABCB1MEN1KMT2A

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-7820835-B2 Method for producing flavan derivatives TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-10-26 — — US disclosed
US-20090099374-A1 METHOD FOR PRODUCING FLAVAN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2009-04-16 — — 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-20090099374-A1 METHOD FOR PRODUCING FLAVAN DERIVATIVE ADH5, ADH1C, CYP2E1 CYP3A4 135/4885MAPK1 3471/4885ABCB1 4410/4885

“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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