SCHEMBL5639128

SCHEMBL5639128

COC(=O)Cc1coc2cc(OCc3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)ccc12

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.79
PPARA Q07869 6/20 0.79
PPARG P37231 3/20 0.69
MAOB P27338 4/20 0.56
MAOA P21397 2/20 0.56
AR P10275 2/20 0.50
TDP1 Q9NUW8 1/20 0.48
FFAR1 O14842 1/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL5638404 0.93 PPARD (0.72) PPARDPPARAPPARGMAOBMAOA
SCHEMBL5638003 0.91 PPARD (0.66) PPARDPPARAPPARGMAOBMAOA
SCHEMBL5639087 0.89 PPARD (1.00) PPARDPPARAPPARGMAOBMAOA
SCHEMBL10239132 0.87 PPARD (0.60) PPARDPPARAPPARGMAOBMAOA
SCHEMBL5638881 0.82 PPARD (0.82) PPARDPPARAPPARGTDP1MEN1
SCHEMBL5639006 0.82 PPARD (0.89) PPARDPPARAPPARGMAOBMAOA
SCHEMBL5639274 0.80 PPARA (0.81) PPARDPPARAPPARGMAOBMAOA
SCHEMBL5640961 0.80 PPARD (0.82) PPARDPPARAPPARGMAOBMAOA
SCHEMBL13280077 0.80 MAOB (0.66) PPARDPPARAPPARGMAOBFFAR1
SCHEMBL4485270 0.78 PPARA (0.61) PPARDPPARAPPARGTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
EP-1620086-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION Warner-Lambert Company LLC (US) 2006-02-01 EP disclosed
US-6875780-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
WO-2004091604-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO disclosed
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation BRATTON LARRY D (US) 2004-10-21 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-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARG, PPARD PPARD 3/4885PPARA 1/4885PPARG 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.