SCHEMBL10259079

SCHEMBL10259079

COC(C)(C)CCCC1=CC(=O)C=C(/C=C\C2=CC(=O)C=C(CCCC(C)(C)CO)C2=O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.35
PTGS2 P35354 5/20 0.35
GLS2 Q9UI32 1/20 0.34

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
SCHEMBL10259395 0.96 ALOX5 (0.36) ALOX5PTGS2GLS2
SCHEMBL3284054 0.91 ALOX5 (0.34) ALOX5PTGS2GLS2
SCHEMBL12056030 0.91 ALOX5 (0.34) ALOX5PTGS2GLS2
SCHEMBL10259178 0.89 ALOX5 (0.38) ALOX5PTGS2GLS2
SCHEMBL10258798 0.89 ALOX5 (0.38) ALOX5PTGS2GLS2
SCHEMBL12056026 0.87 ALOX5 (0.36) ALOX5PTGS2GLS2
SCHEMBL6207204 0.87 ALOX5 (0.36) ALOX5PTGS2GLS2
SCHEMBL10266723 0.85
SCHEMBL8745120 0.85 ALOX5 (0.33) ALOX5PTGS2GLS2
SCHEMBL10258422 0.85 ALOX5 (0.40) ALOX5PTGS2GLS2

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
US-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2012-05-24 US disclosed
US-8084498-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2011-12-27 US disclosed
US-20100137444-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2010-06-03 US disclosed
US-7705177-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPUETICS, INC. (US) 2010-04-27 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 (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-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, CETP ALOX5 802/4885PTGS2 1598/4885GLS2 205/4885
US-20100137444-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 ALOX5 931/4885PTGS2 1802/4885GLS2 203/4885

“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.