SCHEMBL4025872

SCHEMBL4025872

CCOC(CCCCN)c1ccc(OCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
PPARA Q07869 14/20 0.49
PPARG P37231 13/20 0.49
KDR P35968 1/20 0.47
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4027562 0.93 FFAR1 (0.53) FFAR1PPARAPPARGKDRTP53
SCHEMBL4026013 0.89 FFAR1 (0.54) FFAR1PPARAPPARGKDRTP53
SCHEMBL4026911 0.88 FFAR1 (0.56) FFAR1PPARAPPARGKDRTP53
SCHEMBL4028565 0.87 FFAR1 (0.53) FFAR1PPARAPPARGKDRMAPT
SCHEMBL4030774 0.86 FFAR1 (0.52) FFAR1PPARAPPARGKDR
SCHEMBL4025977 0.85 PPARA (0.52) FFAR1PPARAPPARGKDRMAPT
SCHEMBL4031984 0.85 PPARG (0.51) FFAR1PPARAPPARGKDRMAPT
SCHEMBL4031222 0.85 FFAR1 (0.50) FFAR1PPARAPPARGKDRTP53
SCHEMBL4028342 0.85 PPARA (0.51) FFAR1PPARAPPARGKDRMAPT
SCHEMBL4033080 0.84 PPARG (0.50) FFAR1PPARAPPARGKDRTP53

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 9 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
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 2147/4885PPARA 2339/4885PPARG 2043/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 FFAR1 2147/4885PPARA 2339/4885PPARG 2043/4885

“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.