SCHEMBL8744487

SCHEMBL8744487

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.41
TDP1 Q9NUW8 3/20 0.40
FFAR1 O14842 2/20 0.40
CPT2 P23786 1/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
TSHR P16473 5/20 0.31
LMNA P02545 1/20 0.31
NFKB1 P19838 1/20 0.31
PMP22 Q01453 1/20 0.31
GPR84 Q9NQS5 6/20 0.31
PPARG P37231 6/20 0.31
PPARD Q03181 6/20 0.31
PPARA Q07869 6/20 0.31
HDAC11 Q96DB2 5/20 0.31
TLR2 O60603 2/20 0.31
FABP4 P15090 2/20 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
SCHEMBL8744475 0.98 TBXAS1 (0.42) TBXAS1TDP1FFAR1CPT2KMT2A
SCHEMBL8744484 0.94 TBXAS1 (0.40) TBXAS1TDP1FFAR1CPT2KMT2A
SCHEMBL8743365 0.88 TBXAS1 (0.35) TBXAS1KMT2AALDH1A1CYP4F2CYP4A11
SCHEMBL12092673 0.85 ACACB (0.45) TBXAS1TDP1FFAR1CPT2GPR84
SCHEMBL3280282 0.84 TDP1 (0.54) TBXAS1TDP1FFAR1CPT2KMT2A
SCHEMBL12092699 0.83 ACACB (0.43) TBXAS1TDP1FFAR1CPT2CYP4F2
SCHEMBL12092672 0.82 FFAR1 (0.38) TBXAS1TDP1FFAR1CPT2CYP4F2
SCHEMBL3281071 0.78 GPR84 (0.52) TBXAS1TDP1FFAR1CPT2KMT2A
SCHEMBL8744939 0.78 CYP2C19 (0.40) KMT2AMAPTALDH1A1PPARAHDAC11
SCHEMBL14360000 0.77 TDP1 (0.58) TBXAS1TDP1FFAR1CPT2KMT2A

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 645/4885TDP1 2037/4885FFAR1 137/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 TBXAS1 673/4885TDP1 1892/4885FFAR1 126/4885

“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.