SCHEMBL4575472

SCHEMBL4575472

CC(C)c1ccc(N(CCCc2ccc(O)cc2)Cc2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.37
ALDH1A1 P00352 2/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
SLC6A5 Q9Y345 1/20 0.34
CALM1 P0DP23 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.33
DAGLA Q9Y4D2 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
EPHX1 P07099 1/20 0.33
CYP3A4 P08684 1/20 0.33
CXCR3 P49682 1/20 0.33
PDK1 Q15118 1/20 0.33
DAGLB Q8NCG7 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
SCHEMBL4575291 0.91 LMNA (0.40) CETPALDH1A1MEN1KMT2ACYP3A4
SCHEMBL4575127 0.90 CETP (0.40) CETPALDH1A1NR1H2NR1H3TRPM8
SCHEMBL4575250 0.89 PPARA (0.48) PPARGPPARDPPARA
SCHEMBL4575151 0.88 ALDH1A1 (0.44) ALDH1A1MEN1KMT2APPARGPPARD
SCHEMBL4575605 0.84 PPARA (0.48) ALDH1A1PPARGPPARDPPARATRPM8
SCHEMBL4575418 0.82 PPARG (0.46) CETPPPARGPPARDPPARA
SCHEMBL4575888 0.82 PPARG (0.45) CETPPPARGPPARDPPARA
SCHEMBL4575379 0.82 PTGDR2 (0.44) CETPALDH1A1PPARGPPARDPPARA
SCHEMBL4575304 0.82 PPARA (0.48) PPARGPPARDPPARA
SCHEMBL4575057 0.77 PPARG (0.44) CETPPPARGPPARDPPARATRPM8

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 CETP 263/4885ALDH1A1 645/4885NR1H2 5/4885

“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.