SCHEMBL7069748

SCHEMBL7069748

CC(C)(C)OC(Cc1ccc(OCc2cnc3ccccc3c2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.49
PPARG P37231 10/20 0.49
PPARD Q03181 4/20 0.47
SCN9A Q15858 1/20 0.47
MAOB P27338 1/20 0.44
ALOX5AP P20292 1/20 0.44
PTPN1 P18031 1/20 0.44
CYSLTR2 Q9NS75 3/20 0.42
CYSLTR1 Q9Y271 3/20 0.42
ACACB O00763 1/20 0.41
TPH1 P17752 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
SCHEMBL7068771 0.88 PPARG (0.55) PPARAPPARGPPARDSCN9AMAOB
SCHEMBL7070013 0.86 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL7069269 0.86 PPARG (0.68) PPARAPPARG
SCHEMBL7069751 0.85 SCN9A (0.45) SCN9AALOX5APTPH1
SCHEMBL7130371 0.84 PPARG (0.60) PPARAPPARG
SCHEMBL7069695 0.84 PPARA (0.55) PPARAPPARGPPARDMAOBCYSLTR2
SCHEMBL5607673 0.83 PPARG (0.69) PPARAPPARGPPARDMAOB
SCHEMBL7066077 0.83 MAOB (0.47) PPARAPPARGPPARDMAOBALOX5AP
SCHEMBL7068763 0.82 PPARG (0.60) PPARAPPARG
SCHEMBL7067684 0.82 MAOB (0.47) PPARAPPARGPPARDMAOBALOX5AP

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-20030212100-A1 Quinoline derivatives and medicinal use thereof MITSUI CHEMICALS, INC. (JP) 2003-11-13 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-20030212100-A1 Quinoline derivatives and medicinal use thereof PPARG, PPARD, PPARA PPARA 3/4885PPARG 1/4885PPARD 2/4885

“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.