SCHEMBL8744684

SCHEMBL8744684

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
PTGER2 P43116 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
KCNH2 Q12809 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL10257508 0.86 CYP2C19 (0.39) CYP2C19HIF1APTGER2LMNACYP3A4
SCHEMBL3279785 0.86 CYP2C19 (0.47) CYP2C19HIF1APTGER2MEN1LMNA
SCHEMBL10258916 0.85 CYP2C19 (0.40) CYP2C19HIF1AKDM4EMEN1LMNA
SCHEMBL12092640 0.85 ACACB (0.37) CYP2C19HIF1A
SCHEMBL3280032 0.84 CYP2C19 (0.49) CYP2C19HIF1ALMNAKMT2ACYP3A4
SCHEMBL8744685 0.84 CYP2C19 (0.31) CYP2C19HIF1ACYP3A4CYP2C9KCNH2
SCHEMBL8744689 0.83 CYP2C19 (0.32) CYP2C19HIF1A
SCHEMBL10257235 0.81 CYP2C19 (0.41) CYP2C19HIF1AKDM4EMEN1LMNA
SCHEMBL3279295 0.80 CYP2C19 (0.50) CYP2C19HIF1AKDM4EMEN1LMNA
SCHEMBL3284019 0.79 CYP2C19 (0.44) CYP2C19HIF1ALMNAKMT2AHDAC6

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 776/4885PTGER2 1092/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 CYP2C19 485/4885HIF1A 927/4885PTGER2 1103/4885

“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.