SCHEMBL4031348

SCHEMBL4031348

CCOOC(=O)CCc1ccc(OCc2nc(-c3ccc4ccccc4n3)oc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.55
AKR1B1 P15121 1/20 0.46
PPARA Q07869 10/20 0.44
PPARG P37231 10/20 0.44
CYSLTR2 Q9NS75 2/20 0.43
CYSLTR1 Q9Y271 2/20 0.43
PPARD Q03181 2/20 0.42
MAPT P10636 1/20 0.41
VDR P11473 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL4032327 0.93 PPARG (0.49) FFAR1PPARAPPARGPPARD
SCHEMBL4034732 0.86 FFAR1 (0.58) FFAR1PPARAPPARGPPARDMAPT
SCHEMBL4030253 0.81 PPARG (0.45) FFAR1PPARAPPARGPPARD
SCHEMBL4035125 0.81 FFAR1 (0.56) FFAR1PPARAPPARGPPARDMAPT
SCHEMBL4027344 0.81 FFAR1 (0.54) FFAR1PPARAPPARGPPARD
SCHEMBL4028583 0.81 FFAR1 (0.63) FFAR1PPARAPPARGPPARDMAPT
SCHEMBL4026030 0.81 FFAR1 (0.55) FFAR1PPARAPPARGPPARDMAPT
SCHEMBL4025236 0.80 PPARA (0.64) FFAR1PPARAPPARGPPARDMAPT
SCHEMBL4030193 0.80 PPARG (0.58) FFAR1PPARAPPARGMAPT
SCHEMBL4030711 0.80 PPARA (0.67) FFAR1PPARAPPARGPPARDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US claimed
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 FFAR1 2147/4885AKR1B1 202/4885PPARA 2339/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 FFAR1 2147/4885AKR1B1 202/4885PPARA 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.