SCHEMBL16160599

SCHEMBL16160599

CCCCOc1cc(OCCCC)c2c(c1)OC(c1ccc(OCCCC)c(F)c1)[C@@H](O)[C@H]2O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 7/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ PPARG P37231 3/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ KDM1A O60341 2/20 0.33
▸ XDH P47989 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ S1PR2 O95136 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ LPAR2 Q9HBW0 1/20 0.33

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
SCHEMBL13508830 0.90 ALDH1A1 (0.39) ALDH1A1PPARGPPARAXDHPPARD
SCHEMBL20169877 0.81 S1PR5 (0.39) KDM1AXDHPPARD
SCHEMBL20169876 0.81 S1PR5 (0.39) KDM1AXDHPPARD
SCHEMBL15918783 0.81 ALDH1A1 (0.38) ALDH1A1PPARGPPARAPPARD
SCHEMBL16160557 0.80 CYP3A4 (0.53) ALDH1A1KDM1A
SCHEMBL16160606 0.80 CYP3A4 (0.53) ALDH1A1KDM1A
SCHEMBL15918843 0.78 ALDH1A1 (0.36) ALDH1A1PPARGPPARAPPARD
SCHEMBL14415238 0.77 SLC5A2 (0.35) ALDH1A1
SCHEMBL14415237 0.77 SLC5A2 (0.35) ALDH1A1
SCHEMBL14626184 0.77 SLC5A2 (0.35) ALDH1A1

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-20160039781-A1 NOVEL ANALOGUES OF EPICATECHIN AND RELATED POLYPHENOLS SPHAERA PHARMA PVT. LTD. (SG) 2016-02-11 — — US disclosed
WO-2014162320-A2 NOVEL ANALOGUES OF EPICATECHIN AND RELATED POLYPHENOLS SPHAERA PHARMA PVT. LTD. (IN) 2014-10-09 — — WO 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 FAAH 3356/4885ALDH1A1 2886/4885THRA 4630/4885

“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