SCHEMBL8744802

SCHEMBL8744802

COC(=O)C(C)(CCCCCC(=O)CCCCCC(C)(COC=O)c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.36
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
PRSS1 P07477 1/20 0.31
CTSG P08311 1/20 0.31
CTRB1 P17538 1/20 0.31
CMA1 P23946 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
KCNH2 Q12809 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
ELANE P08246 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
SCHEMBL12092663 0.87 ACACB (0.36) KCNN4CYP2C19HIF1APRSS1CTSG
SCHEMBL3283660 0.86 KCNN4 (0.47) KCNN4CYP2C19HIF1APRSS1CTSG
SCHEMBL15456933 0.84 CYP2C19 (0.49) CYP2C19HIF1AALDH1A1CYP3A4CYP2C9
SCHEMBL8744859 0.83 CYP2C19 (0.50) CYP2C19HIF1AALDH1A1CYP3A4
SCHEMBL8744872 0.79 CYP2C19 (0.51) CYP2C19HIF1AALDH1A1CYP3A4
SCHEMBL8744939 0.76 CYP2C19 (0.40) CYP2C19HIF1AALDH1A1CYP3A4KMT2A
SCHEMBL4955211 0.74 KCNN4 (0.49) KCNN4PRSS1CTSGCTRB1CMA1
SCHEMBL14350640 0.74 CYP2C19 (0.45) KCNN4CYP2C19HIF1AKDM4EALDH1A1
SCHEMBL10259454 0.73 CYP2C19 (0.53) KCNN4CYP2C19HIF1AKDM4EALDH1A1
SCHEMBL10256938 0.73 CYP2C19 (0.39) KCNN4CYP2C19HIF1AKDM4EALDH1A1

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 KCNN4 3678/4885CYP2C19 431/4885HIF1A 776/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 KCNN4 3474/4885CYP2C19 485/4885HIF1A 927/4885

“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.