SCHEMBL14526666

SCHEMBL14526666

CC(C)(C)Oc1cccc(OCCCOc2cccc(OS(C)(=O)=O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ F2 P00734 3/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ PDIA6 Q15084 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL14526667 0.94 PPARA (0.41) PPARAALDH1A1F2PPARDPDIA6
SCHEMBL14526664 0.87 PPARG (0.47) PPARAALDH1A1F2
SCHEMBL5660178 0.85 PPARA (0.53) PPARAPPARD
SCHEMBL14526665 0.81 PPARA (0.43) PPARAALDH1A1CA1CA2CA9
SCHEMBL5660952 0.81 PPARA (0.54) PPARAALDH1A1PPARDCYP1A2CYP3A4
SCHEMBL5659323 0.80 PPARA (0.54) PPARAPPARD
SCHEMBL5660220 0.80 CA1 (0.42) ALDH1A1CA1CA2CA9F2
SCHEMBL5660643 0.77 PPARA (0.52) PPARAALDH1A1PPARDCYP1A2CYP3A4
SCHEMBL3838916 0.77 CA2 (0.60) ALDH1A1CA1CA2CA9
SCHEMBL15959430 0.76 MAPK1 (0.40) PPARAALDH1A1MEN1CYP1A2CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 — — 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 (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-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them GPR119, NR1H3, NR1H2 PPARA 251/4885ALDH1A1 2751/4885CA1 4553/4885

“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.

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