SCHEMBL4028558

SCHEMBL4028558

CCOC(O)CCc1ccc(OCCN2c3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.48
PPARA Q07869 4/20 0.48
SMPD1 P17405 2/20 0.46
HDAC6 Q9UBN7 2/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.38
PPARD Q03181 1/20 0.38
KDM1A O60341 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL4026331 0.85 PPARG (0.65) PPARGPPARASMPD1HDAC6SIGMAR1
SCHEMBL4032932 0.81 MAPT (0.51) PPARGPPARAHDAC6ALDH1A1MEN1
SCHEMBL4028561 0.80 PPARG (0.53) PPARGPPARASMPD1ALDH1A1MEN1
SCHEMBL6003664 0.79 PPARG (0.76) PPARGPPARAPPARD
SCHEMBL4028562 0.78 PPARG (0.43) PPARGPPARAPTGS1PTGS2ALDH1A1
SCHEMBL6003721 0.77 PPARG (0.62) PPARGPPARAMAPTPPARD
SCHEMBL4032368 0.76 PPARG (0.63) PPARGPPARASMPD1ALDH1A1MEN1
SCHEMBL4031056 0.76 PPARG (0.50) PPARGPPARASMPD1ALDH1A1MEN1
Tert-Butylamine SCHEMBL6277645 0.76 PPARG (0.71) PPARGPPARAPPARD
SCHEMBL4029861 0.75 PPARG (0.48) PPARGPPARAALDH1A1MEN1KMT2A

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 6 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
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 (1 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

“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.