SCHEMBL10196828

SCHEMBL10196828

CC(C)(CCCCC1=CC=C(CCCC2=CC=C(CCCCC(C)(C)C(=O)O)C2=O)C1=O)OC=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.38
LTB4R Q15722 8/20 0.36
PPARA Q07869 9/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
TTR P02766 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C8 P10632 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
ADRA1A P35348 1/20 0.33
PPARG P37231 1/20 0.33
HTR2B P41595 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CISD1 Q9NZ45 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
CYP4F2 P78329 1/20 0.32

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
SCHEMBL10196825 0.96 ACLY (0.36) ACLYLTB4RPPARAACACBACACA
SCHEMBL10196864 0.94 ACLY (0.36) ACLYLTB4RPPARAACACBACACA
SCHEMBL10196839 0.90 ACLY (0.35) ACLYLTB4RPPARAACACBACACA
SCHEMBL8745079 0.90 ACLY (0.36) ACLYLTB4RPPARAACACBACACA
SCHEMBL8745087 0.88 ACLY (0.35) ACLYLTB4RPPARAACACBACACA
SCHEMBL8745283 0.88 ACLY (0.36) ACLYLTB4RPPARAACACBACACA
SCHEMBL10196848 0.86 PPARA (0.35) ACLYPPARATTRCYP1A2CYP2C8
SCHEMBL3280310 0.86 ACLY (0.44) ACLYLTB4RPPARAACACBACACA
SCHEMBL8745054 0.86 ACLY (0.34) ACLYLTB4RPPARAACACBACACA
SCHEMBL10196762 0.85 ACLY (0.35) ACLYLTB4RPPARAACACBACACA

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 ACLY 314/4885LTB4R 1256/4885PPARA 26/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 ACLY 358/4885LTB4R 1416/4885PPARA 27/4885

“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.