SCHEMBL8744859

SCHEMBL8744859

CC(CCCCC(=O)CCCCC(C)(CC(=O)O)c1ccccc1)(COC=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
ESR1 P03372 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
ESR2 Q92731 1/20 0.31
FFAR1 O14842 1/20 0.30
CPT2 P23786 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL15456933 0.99 CYP2C19 (0.49) CYP2C19HIF1AESR1ALDH1A1CYP3A4
SCHEMBL8744872 0.96 CYP2C19 (0.51) CYP2C19HIF1AESR1ALDH1A1CYP3A4
SCHEMBL3286672 0.87 CYP2C19 (0.66) CYP2C19HIF1AESR1ALDH1A1CYP3A4
SCHEMBL10257302 0.86 CYP2C19 (0.54) CYP2C19HIF1AESR1ALDH1A1CYP3A4
SCHEMBL12092668 0.86 CYP2C19 (0.48) CYP2C19HIF1A
SCHEMBL3280386 0.86 CYP2C19 (0.64) CYP2C19HIF1AESR1ALDH1A1CYP3A4
SCHEMBL12092666 0.85 CYP2C19 (0.50) CYP2C19HIF1AESR1
SCHEMBL10259454 0.85 CYP2C19 (0.53) CYP2C19HIF1AALDH1A1CYP3A4FFAR1
SCHEMBL12092674 0.85 CYP2C19 (0.47) CYP2C19HIF1AFFAR1CPT2TDP1
SCHEMBL8744802 0.83 KCNN4 (0.36) CYP2C19HIF1AALDH1A1CYP3A4

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 776/4885ESR1 273/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 CYP2C19 485/4885HIF1A 927/4885ESR1 291/4885

“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.