SCHEMBL2731682

SCHEMBL2731682

CCOC(=O)COc1cccc(CC(C)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.66
PPARG P37231 2/20 0.66
GAA P10253 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 1/20 0.49
HPGD P15428 1/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PLA2G4B P0C869 1/20 0.46
F9 P00740 1/20 0.45
F10 P00742 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GRM2 Q14416 1/20 0.44
ABCB1 P08183 1/20 0.43

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
SCHEMBL12504047 0.87 PPARA (0.71) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL10865828 0.85 ALDH1A1 (0.50) PPARAPPARGGAAPLA2G4BMEN1
SCHEMBL4432959 0.85 PPARA (0.69) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL9863137 0.85 PPARA (0.67) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL10904428 0.84 PPARA (0.67) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL5563172 0.84 PPARA (0.67) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL12406953 0.84 PPARA (0.67) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL1910455 0.84 PPARA (0.67) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL5461145 0.83 PPARA (0.59) PPARAPPARGMAPK1L3MBTL1TSHR
SCHEMBL31285834 0.82 PPARA (0.57) PPARAPPARGKDM4EHSD17B10HPGD

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-8088926-B2 Substituted 2-methyl-2-phenoxy-N-propyl-propionamides as cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-01-03 US disclosed
US-8088926-B2 Substituted 2-methyl-2-phenoxy-N-propyl-propionamides as cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-01-03 US disclosed
WO-2008144604-A1 SUBSTITUTED 2-METHYL-2-PHENOXY-N-PROPYL-PROPIONAMIDES AS CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2008-11-27 WO disclosed
US-20080287505-A1 SUBSTITUTED 2-METHYL-2-PHENOXY-N-PROPYL-PROPIONAMIDES AS CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2008-11-20 US disclosed
US-20080287505-A1 SUBSTITUTED 2-METHYL-2-PHENOXY-N-PROPYL-PROPIONAMIDES AS CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2008-11-20 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-20080287505-A1 SUBSTITUTED 2-METHYL-2-PHENOXY-N-PROPYL-PROPIONAMIDES AS CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY CNR2, CNR1, GPR119 PPARA 20/4885PPARG 21/4885GAA 4194/4885

“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.