SCHEMBL6469045

SCHEMBL6469045

CC(C)(CO)CCCCCOC(=O)NCCCCC(C)(C)CO

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.57
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
TDP1 Q9NUW8 1/20 0.46
EPHX2 P34913 2/20 0.45

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
SCHEMBL6468825 1.00 ACHE (0.57) ACHECA12CA1CA2CA9
SCHEMBL6467953 0.98 ACHE (0.54) ACHECA12CA1CA2CA9
SCHEMBL7088039 0.81 ACHE (0.57) ACHECA12CA1CA2CA9
SCHEMBL6465300 0.81 ACHE (0.57) ACHECA12CA1CA2CA9
SCHEMBL12340557 0.81 ACHE (0.57) ACHECA12CA1CA2CA9
SCHEMBL1164359 0.81 ACHE (0.57) ACHEEPHX2
SCHEMBL26192235 0.80 ACHE (0.55) ACHECA12CA1CA2CA9
SCHEMBL26192228 0.80 ACHE (0.59) ACHECA12CA1CA2CA9
SCHEMBL7090295 0.79 ACHE (0.54) ACHECA12CA1CA2CA9
SCHEMBL6389974 0.77 EPHX1 (0.48) TDP1EPHX2

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 ACHE 584/4885CA12 2808/4885CA1 2095/4885

“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.