SCHEMBL5667677

SCHEMBL5667677

CCOC(=O)COc1ccc(OC(C)c2ccc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.51
PPARA Q07869 4/20 0.47
ESR1 P03372 1/20 0.45

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
SCHEMBL1549895 0.91 PPARD (0.46) PPARDPPARAESR1
SCHEMBL1550141 0.90 PPARD (0.53) PPARDPPARAESR1
SCHEMBL1549426 0.90 PPARD (0.64) PPARDPPARA
SCHEMBL1550007 0.89 PPARD (0.51) PPARDPPARAESR1
SCHEMBL4421656 0.86 PPARA (0.41) PPARDPPARAESR1
SCHEMBL1549996 0.84 PPARD (0.46) PPARDPPARA
SCHEMBL4830390 0.83 PPARD (0.59) PPARDPPARA
SCHEMBL5669862 0.83 PPARD (0.53) PPARDPPARAESR1
SCHEMBL5667679 0.82 PPARD (0.54) PPARDPPARAESR1
SCHEMBL1549726 0.82 PPARD (0.62) PPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885ESR1 209/4885

“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.