SCHEMBL6508944

SCHEMBL6508944

CCON=C(C)C(Cc1ccc(OCCSc2ccccc2)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.59
PPARA Q07869 20/20 0.59
PPARD Q03181 1/20 0.44

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
SCHEMBL6508939 1.00 PPARG (0.59) PPARGPPARAPPARD
SCHEMBL6503040 0.92 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL6503037 0.92 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL6505006 0.81 PPARG (0.58) PPARGPPARAPPARD
SCHEMBL6505003 0.81 PPARG (0.58) PPARGPPARAPPARD
SCHEMBL6503507 0.77 PPARG (0.60) PPARGPPARA
SCHEMBL6503508 0.77 PPARG (0.66) PPARGPPARA
SCHEMBL6510325 0.76 PPARG (0.55) PPARGPPARA
SCHEMBL6510322 0.76 PPARG (0.55) PPARGPPARA
SCHEMBL6533588 0.75 PPARG (0.60) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO claimed
US-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds ITO FUMITAKA (JP) 2005-07-14 US disclosed
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 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-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds OPRL1, NR1H3, HRH3 PPARG 4387/4885PPARA 4342/4885PPARD 4221/4885

“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.