SCHEMBL4026331

SCHEMBL4026331

CCOC(O)CCc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.65
PPARA Q07869 7/20 0.65
SMPD1 P17405 2/20 0.44
PPARD Q03181 2/20 0.44
SIGMAR1 Q99720 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
CACNA1H O95180 2/20 0.38
CACNA1B Q00975 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PIM1 P11309 1/20 0.36

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
SCHEMBL4028558 0.85 PPARG (0.48) PPARGPPARASMPD1PPARDSIGMAR1
SCHEMBL4031998 0.81 PPARG (0.45) PPARGPPARAHRH3
SCHEMBL4026334 0.80 PPARG (0.71) PPARGPPARASMPD1PPARDCACNA1H
Ragaglitazar SCHEMBL29369224 0.79 PPARA (1.00) PPARGPPARAPPARD
Ragaglitazar SCHEMBL682732 0.79 PPARA (1.00) PPARGPPARAPPARD
Ragaglitazar SCHEMBL676872 0.79 PPARA (1.00) PPARGPPARAPPARD
Ragaglitazar SCHEMBL4822459 0.79 PPARA (1.00) PPARGPPARAPPARD
SCHEMBL4026338 0.78 PPARG (0.59) PPARGPPARASMPD1PPARDCACNA1H
SCHEMBL5342984 0.78 PPARA (0.83) PPARGPPARAPPARD
SCHEMBL4823006 0.78 PPARA (0.83) PPARGPPARAPPARD

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 7 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
EP-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 EP claimed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 WO claimed
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
US-20060142277-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED 2006-06-29 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 (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 PPARG 2043/4885PPARA 2339/4885SMPD1 3354/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 PPARG 2043/4885PPARA 2339/4885SMPD1 3354/4885

“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.