SCHEMBL4575326

SCHEMBL4575326

CCc1ccc(CN(CCc2ccc(OCC(=O)O)c(C)c2)c2ncc(CC)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.41
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
FFAR4 Q5NUL3 3/20 0.41
PTPN1 P18031 3/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL4575701 0.92 PPARD (0.53) PPARDPPARGPPARAFFAR4FFAR1
SCHEMBL4575688 0.91 PPARD (0.52) PPARD
SCHEMBL4575849 0.89 CYP1A2 (0.47) PTPN1
SCHEMBL4575465 0.85 TSHR (0.42) PPARDPPARGPPARAFFAR4FFAR1
SCHEMBL4575084 0.85 PPARA (0.40) PPARDPPARGPPARA
SCHEMBL4575149 0.82 PPARD (0.45) PPARDPPARGPPARAPTPN1FFAR1
SCHEMBL4574642 0.81 PTPN1 (0.43) PPARDPPARGPPARAPTPN1
SCHEMBL4576134 0.80 PPARD (0.43) PPARDPPARAPTPN1
SCHEMBL4575177 0.80 PPARD (0.43) PPARDPPARAPTPN1
SCHEMBL4575648 0.80 ESR1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD PPARD 3/4885PPARG 1/4885PPARA 2/4885

“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.