SCHEMBL862189

SCHEMBL862189

COc1cc(OC)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@H](OC)C2

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ ABCB1 P08183 17/20 0.55
▸ ABCC1 P33527 1/20 0.52
▸ ABCG2 Q9UNQ0 1/20 0.52

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
SCHEMBL5359695 1.00 CYP3A4 (0.59) CYP3A4MAPK1ABCB1ABCC1ABCG2
SCHEMBL3805652 0.93 CYP3A4 (0.59) CYP3A4MAPK1ABCB1
SCHEMBL862428 0.89 MMP2 (0.53) —
SCHEMBL14691188 0.87 CYP3A4 (0.78) CYP3A4MAPK1ABCB1
SCHEMBL3805650 0.87 CYP3A4 (0.78) CYP3A4MAPK1ABCB1
SCHEMBL862196 0.85 MMP2 (0.61) CYP3A4MAPK1
SCHEMBL862107 0.83 MMP2 (0.59) CYP3A4MAPK1
SCHEMBL862370 0.82 MMP2 (0.61) CYP3A4MAPK1
SCHEMBL862195 0.80 CYP3A4 (0.67) CYP3A4MAPK1ABCB1
SCHEMBL25246785 0.80 CYP3A4 (0.78) CYP3A4MAPK1ABCB1

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-8143308-B2 Synthesis of oligo/poly(catechins) and methods of use UNIVERSITY OF MASSACHUSETTS LOWELL (US) 2012-03-27 — — US disclosed
US-20090170928-A1 Synthesis of oligo/poly(catechins) and methods of use GOVERNMENT OF THE UNITED STATES 2009-07-02 — — 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-20090170928-A1 Synthesis of oligo/poly(catechins) and methods of use POLI, PUF60, FABP3 CYP3A4 1162/4885MAPK1 1507/4885ABCB1 1873/4885

“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.

Send feedback