SCHEMBL4030636

SCHEMBL4030636

CCOC(CCN)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.53
PPARG P37231 2/20 0.49
ALOX5 P09917 1/20 0.49
MAOB P27338 2/20 0.49
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL4029329 0.80 FFAR1 (0.50) FFAR1PPARGRAB9ASMN1; SMN2PPARD
SCHEMBL1508341 0.80 FFAR1 (0.47) FFAR1PPARGALOX5
SCHEMBL1508339 0.80 FFAR1 (0.47) FFAR1PPARGALOX5
SCHEMBL10875504 0.80 ALOX5 (0.57) ALOX5MAOBGAAMAPTMAOA
SCHEMBL10877817 0.80 ALOX5 (0.57) ALOX5MAOBGAAMAPTMAOA
SCHEMBL11482259 0.80 PPARA (0.55) PPARGALOX5MAOBGAAMAPT
SCHEMBL4512157 0.77 KDM4E (0.61) FFAR1PPARGGAAMAPTRAB9A
SCHEMBL4027562 0.76 FFAR1 (0.53) FFAR1PPARGMAPTPPARA
SCHEMBL8322978 0.76 MAOB (0.49) FFAR1PPARGALOX5MAOBGAA
SCHEMBL18068702 0.74 CHRNB2 (0.68) MAOBGAAMAPTMAOARAB9A

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 2147/4885PPARG 2043/4885ALOX5 802/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 FFAR1 2147/4885PPARG 2043/4885ALOX5 802/4885

“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.