SCHEMBL7087604

SCHEMBL7087604

CC(C)(CCCCOP(=O)(O)OCCCCC(C)(C)C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.47
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46
LTB4R Q15722 5/20 0.42
PPARA Q07869 5/20 0.41
CYP4F2 P78329 5/20 0.40
CYP4A11 Q02928 5/20 0.40
TTR P02766 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C8 P10632 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
ADRA1A P35348 1/20 0.39
PPARG P37231 1/20 0.39
HTR2B P41595 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CISD1 Q9NZ45 1/20 0.39

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
SCHEMBL7090792 0.98 ACLY (0.50) ACLYACACBACACALTB4RPPARA
SCHEMBL25317925 0.86 MVD (0.39) ACLYACACBACACALTB4RPPARA
SCHEMBL6468858 0.81 LPAR3 (0.37) ACLYACACBACACALTB4RPPARA
SCHEMBL3035007 0.80 LPAR3 (0.42) ACLYACACBACACALTB4RPPARA
SCHEMBL3044819 0.79 LPAR3 (0.41) ACLYACACBACACAPPARATTR
SCHEMBL9437039 0.79 LPAR3 (0.45)
Gemcabene SCHEMBL761631 0.78 ACLY (0.55) ACLYACACBACACALTB4RPPARA
SCHEMBL26192243 0.77 LPAR3 (0.39)
SCHEMBL7222208 0.77 ACLY (0.70) ACLYACACBACACAPPARACYP4F2
Gemcabene SCHEMBL528316 0.76 ACLY (0.53) ACLYACACBACACALTB4RPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.