SCHEMBL6091395

SCHEMBL6091395

CCOC(=O)C(C)(C)Oc1cccc(CBr)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.69
PPARG P37231 4/20 0.69
FBP1 P09467 7/20 0.55
TSHR P16473 2/20 0.54
ABCB11 O95342 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR2A P28223 1/20 0.54
PMP22 Q01453 1/20 0.54
GRM2 Q14416 1/20 0.49
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP8 P22894 1/20 0.41
TLR7 Q9NYK1 2/20 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
SCHEMBL3483710 0.91 PPARA (0.62) PPARAPPARGFBP1TSHRABCB11
SCHEMBL3484814 0.89 PPARA (0.73) PPARAPPARGFBP1TSHRABCB11
SCHEMBL6093013 0.87 PPARA (0.70) PPARAPPARGFBP1TSHRABCB11
SCHEMBL14291406 0.86 PPARA (0.69) PPARAPPARGFBP1TSHRABCB11
SCHEMBL1549446 0.86 PPARA (0.69) PPARAPPARGFBP1TSHRABCB11
SCHEMBL3484509 0.86 PPARA (0.56) PPARAPPARGFBP1TSHRABCB11
SCHEMBL14122316 0.86 PPARA (0.51) PPARAPPARGFBP1CYP4F2CYP4A11
SCHEMBL6081046 0.85 PPARA (0.67) PPARAPPARGFBP1TSHRABCB11
SCHEMBL21188241 0.85 PPARA (0.67) PPARAPPARGFBP1TSHRABCB11
SCHEMBL3484056 0.85 PPARA (0.75) PPARAPPARGFBP1TSHRABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
US-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ATHEROGENICS, INC. 2006-03-23 US disclosed
WO-2006004903-A2 1,2-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND PHARMACEUTICAL COMPOSITIONS THEREOF ATHEROGENICS, INC. (US) 2006-01-12 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 (2 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-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ABCB11, CEL, CYP46A1 PPARA 457/4885PPARG 535/4885FBP1 760/4885
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS PPARG, PPARA, PPARD PPARA 2/4885PPARG 1/4885FBP1 2972/4885

“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.