SCHEMBL4031998

SCHEMBL4031998

CCOC(O)CCc1ccc(OCCN2CCOc3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.45
PPARA Q07869 3/20 0.45
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HRH3 Q9Y5N1 1/20 0.39
TSHR P16473 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38
RORC P51449 2/20 0.38
KCNH2 Q12809 1/20 0.38
LTA4H P09960 1/20 0.37
GRM5 P41594 1/20 0.37
KMT2A Q03164 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
SCHEMBL14265754 0.84 PPARG (0.49) PPARGPPARALMNAMAPTRXFP1
SCHEMBL4029861 0.81 PPARG (0.48) PPARGPPARAMAPTHRH3TSHR
SCHEMBL14265718 0.81 PPARG (0.48) PPARGPPARALMNAMAPTRXFP1
SCHEMBL5107356 0.81 PPARG (0.69) PPARGPPARA
SCHEMBL14265753 0.81 PPARG (0.69) PPARGPPARA
SCHEMBL4026331 0.81 PPARG (0.65) PPARGPPARAHRH3
SCHEMBL4032932 0.80 MAPT (0.51) PPARGPPARALMNAMAPTRXFP1
SCHEMBL5107710 0.80 PPARG (0.58) PPARGPPARALMNAMAPTRXFP1
SCHEMBL14265752 0.80 PPARG (0.58) PPARGPPARALMNAMAPTRXFP1
SCHEMBL5107137 0.80 PPARG (0.58) PPARGPPARALMNAMAPTRXFP1

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 2339/4885LMNA 751/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 PPARG 2043/4885PPARA 2339/4885LMNA 751/4885

“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.