SCHEMBL4692571

SCHEMBL4692571

CCOC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(CCOC)n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.57
PPARA Q07869 7/20 0.57
NR1H2 P55055 2/20 0.46
FAAH O00519 2/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARD Q03181 2/20 0.43
SMPD1 P17405 2/20 0.43
CA9 Q16790 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CHRNA7 P36544 1/20 0.41

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
SCHEMBL4692597 0.87 FAAH (0.57) PPARGPPARANR1H2FAAHMEN1
SCHEMBL4690961 0.86 PPARG (0.60) PPARGPPARAPPARDSMPD1CNR1
SCHEMBL4693346 0.83 FAAH (0.56) PPARGPPARANR1H2FAAHMEN1
SCHEMBL4688177 0.82 PPARG (0.56) PPARGPPARANR1H2FAAHMEN1
SCHEMBL4689578 0.82 PPARG (0.57) PPARGPPARANR1H2FAAHMAPT
SCHEMBL4692575 0.80 PPARG (0.56) PPARGPPARAFAAHMEN1NPC1
SCHEMBL4691564 0.77 PPARG (0.84) PPARGPPARAPPARD
SCHEMBL19616009 0.77 CNR1 (0.42) NPC1GAAMAPTKMT2ACNR1
SCHEMBL18003906 0.75 CHRNA7 (0.57) NR1H2FAAHNPC1RAB9ASMPD1
SCHEMBL1233457 0.75 CNR1 (0.43) NR1H2GAAMAPTCYP2C19KMT2A

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-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 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-20080021030-A1 Substituted Pyrazoles As Ppar Agonists PPARD, PPARA, PPARG PPARG 3/4885PPARA 2/4885NR1H2 13/4885

“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.