SCHEMBL1777261

SCHEMBL1777261

C#CCOc1ccc(OCC(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.53
ALDH1A1 P00352 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 1/20 0.48
GSTP1 P09211 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46

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
SCHEMBL2116437 0.85 PTGS2 (0.66) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL1483275 0.84 PTGS2 (0.54) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL23091266 0.82 CA12 (0.52) ALDH1A1CYP2C9CYP2C19MAPTCA12
SCHEMBL1777832 0.82 PPARD (0.49) ALDH1A1MEN1POLBKMT2AGAA
SCHEMBL2868376 0.81 ADRB2 (0.53) ALDH1A1MAPTGSTP1CA12CA1
SCHEMBL17365269 0.80 PTGS2 (0.60) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL12061812 0.80 GAA (0.66) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL254800 0.79 MAPT (0.66) MAPTGSTP1CA12CA1CA2
SCHEMBL11151346 0.79 PTGS2 (0.59) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL11148532 0.79 PTGS2 (0.55) PTGS2ALDH1A1CYP2C9CYP2C19MAPT

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 4 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-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

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 PTGS2 628/4885ALDH1A1 1075/4885CYP2C9 854/4885

“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.