SCHEMBL4028199

SCHEMBL4028199

CCOC(O)CCc1ccc(OCC(O)c2ccc(CC)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.53
ADRB3 P13945 5/20 0.36
ADRB2 P07550 4/20 0.36
ADRB1 P08588 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.35
S1PR1 P21453 1/20 0.34
PPARA Q07869 1/20 0.33
GRIN2B Q13224 1/20 0.33
ACACB O00763 2/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4028214 1.00 PPARG (0.53) PPARGADRB3ADRB2ADRB1KMT2A
SCHEMBL4028208 0.81 PPARG (0.50) PPARGKMT2AMEN1LMNA
SCHEMBL4028204 0.80 PPARG (0.52) PPARGADRB3ADRB2ADRB1KMT2A
SCHEMBL4026047 0.80 PPARG (0.51) PPARGKMT2AMEN1LMNAPPARA
SCHEMBL14479930 0.80 PPARG (0.56) PPARGLMNA
SCHEMBL14479981 0.80 PPARG (0.56) PPARGLMNA
SCHEMBL17540628 0.79 PPARG (0.53) PPARGKMT2AMEN1LMNAPPARA
SCHEMBL17540614 0.79 PPARG (0.53) PPARGKMT2AMEN1LMNAPPARA
SCHEMBL17540611 0.79 PPARG (0.53) PPARGKMT2AMEN1LMNAPPARA
SCHEMBL17540627 0.79 PPARG (0.53) PPARGKMT2AMEN1LMNAPPARA

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
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 PPARG 2043/4885ADRB3 108/4885ADRB2 468/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 PPARG 2043/4885ADRB3 108/4885ADRB2 468/4885

“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.