SCHEMBL1549983

SCHEMBL1549983

CCOC(=O)C(C)(C)Oc1cc(OCc2ccc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.46
PPARA Q07869 6/20 0.46
PPARG P37231 3/20 0.42
MAOB P27338 1/20 0.40
GSTP1 P09211 1/20 0.39
FFAR1 O14842 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1550281 0.93 PPARD (0.53) PPARDPPARAPPARG
SCHEMBL1549441 0.91 PPARA (0.42) PPARDPPARAPPARGMAOBALDH1A1
SCHEMBL1550014 0.91 PPARD (0.44) PPARDPPARAPPARGMAOBFFAR1
SCHEMBL1549771 0.90 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL4427331 0.86 PPARD (0.38) PPARDPPARAPPARGMAOBALDH1A1
SCHEMBL1549557 0.85 PPARD (0.53) PPARDPPARA
SCHEMBL1550306 0.84 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL1549438 0.84 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL1549764 0.83 PPARD (0.49) PPARDPPARA
SCHEMBL4429318 0.83 TDP1 (0.36) PPARDPPARAPPARGALDH1A1L3MBTL1

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-2314576-A1 Phenyl derivatives as PPAR agonists F.HOFFMANN-LA ROCHE AG (CH) 2011-04-27 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-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 (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-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG PPARD 1/4885PPARA 2/4885PPARG 3/4885

“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.