SCHEMBL197217

SCHEMBL197217

CCOC(=O)C(C)(C)Oc1ccc(O)nc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.60
ABCB11 O95342 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
TSHR P16473 1/20 0.60
HTR2A P28223 1/20 0.60
PMP22 Q01453 1/20 0.60
FBP1 P09467 9/20 0.49
PPARG P37231 4/20 0.45
OPRK1 P41145 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GRM2 Q14416 1/20 0.37

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
SCHEMBL3371452 0.87 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL611776 0.84 PPARA (0.67) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL610263 0.84 PPARA (0.58) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL31067888 0.82 PPARA (0.56) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL25262066 0.82 PPARA (0.56) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL16248094 0.81 PPARA (0.55) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL199420 0.80 PPARA (0.73) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL11548436 0.78 PPARA (0.76) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3903999 0.78 PPARA (0.76) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL198509 0.77 PPARA (0.50) PPARAABCB11CYP1A2CYP3A4TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321282-B1 NEW BENZIMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-03-27 EP disclosed
US-8088930-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-01-03 US disclosed
EP-2321282-A1 NEW BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
WO-2010028981-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-18 WO disclosed
US-20100063101-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 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-20100063101-A1 NEW BENZIMIDAZOLE DERIVATIVES CYP3A7, ECI1, CYP2B6 PPARA 322/4885ABCB11 43/4885CYP1A2 54/4885

“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.