SCHEMBL4615169

SCHEMBL4615169

CCOC(=O)C(C)(C)Oc1ccc(Oc2cccc(C#N)c2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.46
CNR2 P34972 1/20 0.46
PPARA Q07869 14/20 0.45
PPARG P37231 13/20 0.45
PPARD Q03181 12/20 0.45
ABCB11 O95342 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HTR2A P28223 1/20 0.43
PMP22 Q01453 1/20 0.43
EPAS1 Q99814 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
TBXA2R P21731 1/20 0.40

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
SCHEMBL4614758 0.88 FBP1 (0.45) FBP1CNR2PPARAPPARGPPARD
SCHEMBL4616226 0.87 FBP1 (0.46) FBP1CNR2PPARAPPARGPPARD
SCHEMBL4616212 0.86 FBP1 (0.44) FBP1CNR2PPARAPPARGPPARD
SCHEMBL4614921 0.86 FBP1 (0.44) FBP1CNR2PPARAPPARGPPARD
SCHEMBL14543831 0.86 EPAS1 (0.50) FBP1PPARAPPARGPPARDABCB11
SCHEMBL14289654 0.85 PPARA (0.52) FBP1PPARAPPARGPPARDABCB11
SCHEMBL1549698 0.85 PPARA (0.57) FBP1CNR2PPARAPPARGABCB11
SCHEMBL9700152 0.85 FBP1 (0.54) FBP1CNR2PPARAPPARGABCB11
SCHEMBL4615988 0.84 FBP1 (0.47) FBP1PPARAPPARGPPARDABCB11
SCHEMBL4616738 0.83 FBP1 (0.50) FBP1PPARAPPARGABCB11CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 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-20070082907-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD FBP1 484/4885CNR2 544/4885PPARA 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.