SCHEMBL4029576

SCHEMBL4029576

CCO[C@H](CC#N)Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.58
PPARG P37231 16/20 0.58
PPARA Q07869 14/20 0.58
KDR P35968 1/20 0.50
PPARD Q03181 2/20 0.48

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
SCHEMBL4028563 0.88 FFAR1 (0.60) FFAR1PPARGPPARAKDRPPARD
SCHEMBL4026910 0.88 FFAR1 (0.63) FFAR1PPARGPPARAKDRPPARD
SCHEMBL4027559 0.88 FFAR1 (0.60) FFAR1PPARGPPARAKDRPPARD
SCHEMBL4031983 0.87 PPARG (0.60) FFAR1PPARGPPARAKDRPPARD
SCHEMBL4025975 0.86 FFAR1 (0.58) FFAR1PPARGPPARAKDRPPARD
SCHEMBL4025847 0.85 PPARG (0.57) FFAR1PPARGPPARAKDRPPARD
SCHEMBL4026784 0.85 PPARG (0.56) FFAR1PPARGPPARAKDRPPARD
SCHEMBL4028338 0.85 PPARG (0.59) FFAR1PPARGPPARAKDRPPARD
SCHEMBL4025369 0.84 PPARG (0.56) FFAR1PPARGPPARAKDRPPARD
SCHEMBL4030299 0.83 FFAR1 (0.61) FFAR1PPARGPPARAKDRPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP claimed
US-20060142277-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED 2006-06-29 US claimed
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP disclosed
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP disclosed
US-20060142277-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED 2006-06-29 US disclosed
EP-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 EP disclosed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 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 (2 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-20060142277-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 FFAR1 2147/4885PPARG 2043/4885PPARA 2339/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 FFAR1 2147/4885PPARG 2043/4885PPARA 2339/4885

“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.