SCHEMBL8744484

SCHEMBL8744484

CC(C)(CCCC(=O)CCCC(C)(C)CCC(=O)O)CCOC=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.40
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
FFAR1 O14842 1/20 0.34
CPT2 P23786 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL8744475 0.95 TBXAS1 (0.42) TBXAS1CYP4F2CYP4A11FFAR1CPT2
SCHEMBL8744487 0.94 TBXAS1 (0.41) TBXAS1CYP4F2CYP4A11FFAR1CPT2
SCHEMBL8743365 0.90 TBXAS1 (0.35) TBXAS1CYP4F2CYP4A11KMT2ANAALAD2
SCHEMBL12092672 0.85 FFAR1 (0.38) TBXAS1CYP4F2CYP4A11FFAR1CPT2
SCHEMBL3283757 0.83 FFAR1 (0.46) TBXAS1FFAR1CPT2TDP1MAPT
SCHEMBL12092699 0.82 ACACB (0.43) TBXAS1CYP4F2CYP4A11FFAR1CPT2
SCHEMBL12092673 0.81 ACACB (0.45) TBXAS1FFAR1CPT2TDP1
SCHEMBL8743694 0.80 TSHR (0.34) FFAR1CPT2TDP1
SCHEMBL8742572 0.77 TSHR (0.34)
SCHEMBL3281345 0.76 FFAR1 (0.45) TBXAS1CYP4F2CYP4A11FFAR1CPT2

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 TBXAS1 645/4885CYP4F2 999/4885CYP4A11 101/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 TBXAS1 673/4885CYP4F2 1045/4885CYP4A11 107/4885

“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.