SCHEMBL8744685

SCHEMBL8744685

CC(CCCCCC(=O)CCCCCC(C)(C(=O)O)c1ccccc1)(OC=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
PPARA Q07869 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL8744689 0.99 CYP2C19 (0.32) CYP2C19HIF1APPARA
SCHEMBL8744695 0.95 CYP2C19 (0.33) CYP2C19HIF1APPARA
SCHEMBL12092639 0.86 ACACB (0.43) CYP2C19HIF1APPARAKCNH2
SCHEMBL3279710 0.85 CYP2C19 (0.41) CYP2C19HIF1ACYP3A4CYP2C9KCNH2
SCHEMBL10258637 0.85 CES1 (0.35) CYP2C19HIF1APPARACYP3A4CYP2C9
SCHEMBL12092669 0.84 ACACB (0.40) CYP2C19HIF1APPARAKCNH2
SCHEMBL8744684 0.84 CYP2C19 (0.36) CYP2C19HIF1ACYP3A4CYP2C9KCNH2
SCHEMBL3279812 0.84 CYP2C19 (0.42) CYP2C19HIF1APPARACYP3A4KCNH2
SCHEMBL12092653 0.84 ACACB (0.36) CYP2C19HIF1APPARAKCNH2
SCHEMBL10258992 0.81 CES1 (0.36) CYP2C19HIF1APPARA

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 CYP2C19 431/4885HIF1A 776/4885PPARA 26/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 CYP2C19 485/4885HIF1A 927/4885PPARA 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.