SCHEMBL1777832

SCHEMBL1777832

C#CCOc1ccc(OCC(=O)OC)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.49
PPARG P37231 4/20 0.49
PPARA Q07869 2/20 0.49
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TSHR P16473 2/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4181337 0.86 PPARD (0.49) PPARDPPARGPPARAALDH1A1KDM4E
SCHEMBL1777261 0.82 PTGS2 (0.53) PPARDALDH1A1MEN1KMT2AMAOA
SCHEMBL13484525 0.81 PPARD (0.54) PPARDPPARGPPARAALDH1A1KDM4E
SCHEMBL24474657 0.80 PPARD (0.53) PPARDPPARGPPARAALDH1A1KDM4E
SCHEMBL4186855 0.80 PPARD (0.55) PPARDPPARGPPARAALDH1A1KDM4E
SCHEMBL4187263 0.79 PPARD (0.53) PPARDPPARGPPARAALDH1A1KDM4E
SCHEMBL1244071 0.79 PPARG (0.52) PPARDPPARGPPARAALDH1A1KDM4E
SCHEMBL1777593 0.78 PPARD (0.43) PPARDPPARGPPARAALDH1A1KDM4E
SCHEMBL4181344 0.78 PPARD (0.49) PPARDPPARGPPARAALDH1A1KDM4E
SCHEMBL28827968 0.76 HPGD (0.62) KDM4EHSD17B10MEN1KMT2AHTT

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
US-7943612-B2 Compounds that modulate PPAR activity, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-05-17 US disclosed
US-7943612-B2 Compounds that modulate PPAR activity, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-05-17 US disclosed
US-7943612-B2 Compounds that modulate PPAR activity, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-05-17 US disclosed
US-20090048257-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC 2009-02-19 US disclosed
US-20090048257-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC 2009-02-19 US disclosed
US-20090048257-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC 2009-02-19 US disclosed
EP-1999098-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE High Point Pharmaceuticals, LLC (US) 2008-12-10 EP disclosed
WO-2007101864-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC (US) 2007-09-13 WO disclosed
WO-2007101864-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC (US) 2007-09-13 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 (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-20090048257-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE PPARD, PPARG, PPARA PPARD 1/4885PPARG 2/4885PPARA 3/4885

“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.