SCHEMBL4028204

SCHEMBL4028204

CCO[C@H](CO)Cc1ccc(OCC(O)c2ccc(CC)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.52
PPARA Q07869 6/20 0.36
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
PPARD Q03181 2/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
PLA2G2A P14555 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL14479958 0.82 PPARA (0.59) PPARGPPARAPPARD
SCHEMBL14479964 0.82 PPARA (0.59) PPARGPPARAPPARD
SCHEMBL14479928 0.82 PPARA (0.59) PPARGPPARAPPARD
SCHEMBL14479976 0.82 PPARA (0.59) PPARGPPARAPPARD
SCHEMBL14479973 0.82 PPARA (0.59) PPARGPPARAPPARD
SCHEMBL14479952 0.82 PPARA (0.59) PPARGPPARAPPARD
SCHEMBL14479975 0.82 PPARA (0.59) PPARGPPARAPPARD
SCHEMBL4028214 0.80 PPARG (0.53) PPARGPPARAMEN1LMNAKMT2A
SCHEMBL4028199 0.80 PPARG (0.53) PPARGPPARAMEN1LMNAKMT2A
SCHEMBL4028208 0.80 PPARG (0.50) PPARGMEN1LMNAKMT2A

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 2043/4885PPARA 2339/4885CYP2C9 41/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 PPARG 2043/4885PPARA 2339/4885CYP2C9 41/4885

“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.