SCHEMBL10258992

SCHEMBL10258992

COC(C)(CCCC(=O)CCCC(C)(C(=O)O)c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.36
KCNN4 O15554 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
PPARA Q07869 4/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL10258637 0.96 CES1 (0.35) CES1KCNN4CYP2C19HIF1APPARA
SCHEMBL3278389 0.88 CYP2C19 (0.43) KCNN4CYP2C19HIF1APPARAKMT2A
SCHEMBL8744695 0.85 CYP2C19 (0.33) CYP2C19HIF1APPARAKMT2AMAPT
SCHEMBL10263867 0.85 ACACB (0.39) CES1KCNN4CYP2C19HIF1APPARA
SCHEMBL3279812 0.84 CYP2C19 (0.42) KCNN4CYP2C19HIF1APPARAKMT2A
SCHEMBL12094486 0.83 ACACB (0.43) CES1KCNN4CYP2C19HIF1APPARA
SCHEMBL10257235 0.82 CYP2C19 (0.41) CES1KCNN4CYP2C19HIF1AKMT2A
SCHEMBL3279710 0.82 CYP2C19 (0.41) CES1CYP2C19HIF1AKMT2AMAPT
SCHEMBL8744689 0.82 CYP2C19 (0.32) CYP2C19HIF1APPARAALDH1A1
SCHEMBL8744685 0.81 CYP2C19 (0.31) 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-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 CES1 84/4885KCNN4 3678/4885CYP2C19 431/4885
US-20100137444-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 CES1 97/4885KCNN4 3474/4885CYP2C19 485/4885

“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.