SCHEMBL5643122

SCHEMBL5643122

COCc1cccc(-c2cc(COc3cc4scc(CC(=O)O)c4cc3OC)no2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.60
PPARA Q07869 12/20 0.60
PPARG P37231 4/20 0.46
CFD P00746 4/20 0.39
F11 P03951 4/20 0.39
TPSB2 P20231 3/20 0.39
KLKB1 P03952 2/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
F7 P08709 1/20 0.39
HPGD P15428 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 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
SCHEMBL5638553 0.91 PPARD (0.67) PPARDPPARAPPARGHPGDKDM4E
SCHEMBL5639570 0.86 PPARA (0.69) PPARDPPARAPPARGCFD
SCHEMBL5639506 0.85 PPARA (0.57) PPARDPPARAPPARGHPGDALDH1A1
SCHEMBL5638002 0.85 PPARD (0.51) PPARDPPARAPPARGCFDF11
SCHEMBL5784004 0.84 PPARA (0.70) PPARDPPARAPPARGMEN1KMT2A
SCHEMBL5640226 0.81 PPARA (0.63) PPARDPPARAPPARGHPGDMEN1
SCHEMBL5639602 0.80 PPARA (0.72) PPARDPPARAPPARG
SCHEMBL5639234 0.77 PPARA (0.78) PPARDPPARAPPARGHPGDMEN1
SCHEMBL5639398 0.75 PPARD (0.58) PPARDPPARAPPARGGAAMAPT
SCHEMBL5638824 0.75 PPARD (1.00) PPARDPPARAPPARGMEN1KMT2A

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 5 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 claimed
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation BRATTON LARRY D (US) 2004-10-21 US claimed
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
US-6875780-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY (US) 2005-04-05 US 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.