SCHEMBL4575998

SCHEMBL4575998

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.37
PPARA Q07869 8/20 0.35
PPARG P37231 7/20 0.35
PPARD Q03181 3/20 0.35
HRH3 Q9Y5N1 4/20 0.34
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4575318 0.93 PPARA (0.42) CYP1A2CYP2D6CYP2C19PPARAPPARG
SCHEMBL4575350 0.93 PPARA (0.40) PPARAPPARGPPARD
SCHEMBL4575084 0.89 PPARA (0.40) PPARAPPARGPPARD
SCHEMBL4575849 0.85 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19ALDH1A1HSD17B10
SCHEMBL4575576 0.84 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL4576048 0.83 MAOB (0.36) CYP1A2CYP2D6CYP2C19ALDH1A1HSD17B10
SCHEMBL4576167 0.83 PPARA (0.42) PPARAPPARGPPARD
SCHEMBL4575120 0.83 CYP1A2 (0.39) CYP1A2CYP2D6CYP2C19ALDH1A1HSD17B10
SCHEMBL4575436 0.83 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL4575453 0.83 PPARA (0.49) PPARAPPARGPPARD

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 CYP1A2 668/4885CYP2D6 620/4885CYP2C19 348/4885

“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.