SCHEMBL198547

SCHEMBL198547

CCOC(=O)C(C)(C)Oc1ccc(O)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.58
ABCB11 O95342 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
TSHR P16473 1/20 0.58
HTR2A P28223 1/20 0.58
PMP22 Q01453 1/20 0.58
FBP1 P09467 11/20 0.57
PPARG P37231 4/20 0.50
GRM2 Q14416 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
OPRK1 P41145 1/20 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
SCHEMBL4614967 0.85 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1712071 0.84 PPARA (0.57) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL31117791 0.84 PPARA (0.65) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL6036068 0.84 PPARA (0.60) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1549344 0.83 PPARA (0.56) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL6035075 0.82 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL21188318 0.82 FBP1 (0.60) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL31357584 0.82 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL16585195 0.82 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL7984744 0.81 PPARA (0.53) 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 14 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
EP-2314576-A1 Phenyl derivatives as PPAR agonists F.HOFFMANN-LA ROCHE AG (CH) 2011-04-27 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
US-7253192-B2 Phenyl derivatives comprising an acetylene group HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1765760-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F.HOFFMANN-LA ROCHE AG (CH) 2007-03-28 EP disclosed
US-7115611-B2 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-10-03 US disclosed
EP-1682508-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2006002802-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
US-20060004091-A1 Phenyl derivatives comprising an acetylene group F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 US disclosed
WO-2005049573-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 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 (3 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
US-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG PPARA 2/4885ABCB11 337/4885CYP1A2 94/4885
US-20060004091-A1 Phenyl derivatives comprising an acetylene group PPARD, PPARA, PPARG PPARA 2/4885ABCB11 880/4885CYP1A2 82/4885

“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.