SCHEMBL6464912

SCHEMBL6464912

CC(C)(CCCCCNCCCCCC(C)(C)C(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.59
ACACB O00763 1/20 0.57
ACACA Q13085 1/20 0.57
TBXAS1 P24557 2/20 0.44
GUCY1A1 Q02108 1/20 0.41
GUCY1B1 Q02153 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
FFAR1 O14842 1/20 0.40
CPT2 P23786 1/20 0.40
PAOX Q6QHF9 3/20 0.38
PPARA Q07869 3/20 0.38
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL6464098 0.98 ACLY (0.55) ACLYACACBACACATBXAS1GUCY1A1
SCHEMBL19347929 0.91 ACLY (0.50) ACLYACACBACACATDP1FFAR1
SCHEMBL11383258 0.90 ACLY (0.53) ACLYACACBACACATBXAS1GUCY1A1
SCHEMBL4190226 0.86 ACLY (0.74) ACLYACACBACACATBXAS1GUCY1A1
SCHEMBL20474799 0.86 ACLY (0.74) ACLYACACBACACATBXAS1GUCY1A1
SCHEMBL5528331 0.86 ACLY (0.74) ACLYACACBACACATBXAS1GUCY1A1
SCHEMBL1832600 0.86 ACLY (0.74) ACLYACACBACACATBXAS1GUCY1A1
SCHEMBL1836313 0.86 ACLY (0.74) ACLYACACBACACATBXAS1GUCY1A1
SCHEMBL9177458 0.86 ACLY (0.74) ACLYACACBACACATBXAS1GUCY1A1
SCHEMBL6254902 0.86 ACLY (0.74) ACLYACACBACACATBXAS1GUCY1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497247-A2 MIMICS OF ACYL COENZYME-A, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2005-01-19 EP disclosed
US-20030236212-A1 Functionalized long chain derivatives as acyl coenzyme-A mimics, compositions thereof, and methods of cholesterol management and related uses ESPERION THERAPEUTICS 2003-12-25 US disclosed
WO-2003087108-A2 MIMICS OF ACYL COENZYME-A, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2003-10-23 WO 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 (1 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-20030236212-A1 Functionalized long chain derivatives as acyl coenzyme-A mimics, compositions thereof, and methods of cholesterol management and related uses ACADM, COASY, ACACA ACLY 71/4885ACACB 12/4885ACACA 3/4885

“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.