SCHEMBL8745197

SCHEMBL8745197

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.34
ACLY P53396 1/20 0.31
ALOX5 P09917 1/20 0.30
PTGS2 P35354 1/20 0.30
TTR P02766 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C8 P10632 1/20 0.30
CHRM1 P11229 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
ADRA1A P35348 1/20 0.30
PPARG P37231 1/20 0.30
HTR2B P41595 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLCO1B3 Q9NPD5 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CISD1 Q9NZ45 1/20 0.30
SLCO1B1 Q9Y6L6 1/20 0.30

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
SCHEMBL8745116 0.97 PPARA (0.33) PPARAACLYALOX5PTGS2
SCHEMBL8745054 0.91 ACLY (0.34) PPARAACLYALOX5PTGS2TTR
SCHEMBL10196766 0.91 ACLY (0.34) PPARAACLYALOX5PTGS2TTR
SCHEMBL6205461 0.89 ACLY (0.38) PPARAACLYALOX5PTGS2TTR
SCHEMBL10258915 0.89 ACLY (0.38) PPARAACLYALOX5PTGS2TTR
SCHEMBL10257083 0.88 PPARA (0.37) PPARAACLYALOX5PTGS2TTR
SCHEMBL8745079 0.87 ACLY (0.36) PPARAACLYALOX5PTGS2TTR
SCHEMBL8745283 0.87 ACLY (0.36) PPARAACLYALOX5PTGS2TTR
SCHEMBL10196848 0.86 PPARA (0.35) PPARAACLYTTRCYP1A2CYP2C8
SCHEMBL10259365 0.85 ACLY (0.41) PPARAACLYALOX5PTGS2

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-8975300-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2015-03-10 US disclosed
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2014-08-14 US disclosed
US-8642653-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2014-02-04 US disclosed
US-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2012-05-24 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 PPARA 26/4885ACLY 314/4885ALOX5 802/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 PPARA 27/4885ACLY 358/4885ALOX5 931/4885

“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.