SCHEMBL7252846

SCHEMBL7252846

CCCCCC(C)(CCCCOCCCCC(C)(C)C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.43
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
CES2 O00748 2/20 0.41
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
PPARA Q07869 5/20 0.38
LTB4R Q15722 4/20 0.36
TTR P02766 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C8 P10632 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
ADRA1A P35348 1/20 0.36
PPARG P37231 1/20 0.36
HTR2B P41595 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
SCHEMBL9180743 0.86 ACLY (0.52) ACLYACACBACACACES2PPARA
Gemcabene SCHEMBL761631 0.86 ACLY (0.55) ACLYACACBACACAPPARALTB4R
SCHEMBL9182628 0.84 ACLY (0.55) ACLYACACBACACACES2PPARA
SCHEMBL5524941 0.84 ACLY (0.59) ACLYACACBACACAPPARALTB4R
SCHEMBL14269711 0.84 ACLY (0.59) ACLYACACBACACAPPARALTB4R
Gemcabene SCHEMBL4184554 0.84 ACLY (0.53) ACLYACACBACACAPPARALTB4R
Gemcabene SCHEMBL528316 0.84 ACLY (0.53) ACLYACACBACACAPPARALTB4R
SCHEMBL6258161 0.84 ACLY (0.53) ACLYACACBACACAPPARALTB4R
SCHEMBL5531453 0.84 ACLY (0.59) ACLYACACBACACAPPARALTB4R
SCHEMBL13515163 0.83 ACLY (0.43) ACLYACACBACACAPPARALTB4R

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
US-20030119912-A1 Calcium dicarboxylate ethers, methods of making same, and treatment of vascular disease and diabetes therewith WARNER-LAMBERT COMPANY 2003-06-26 US claimed
EP-1259474-A1 CALCIUM DICARBOXYLATE ETHERS, METHODS OF MAKING SAME, AND TREATMENT OF VASCULAR DISEASE AND DIABETES THEREWITH WARNER-LAMBERT COMPANY (US) 2002-11-27 EP claimed
WO-2001055078-A1 CALCIUM DICARBOXYLATE ETHERS, METHODS OF MAKING SAME, AND TREATMENT OF VASCULAR DISEASE AND DIABETES THEREWITH WARNER-LAMBERT COMPANY (GB) 2001-08-02 WO claimed

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-20030119912-A1 Calcium dicarboxylate ethers, methods of making same, and treatment of vascular disease and diabetes therewith CACNA1H, CACNA1S, CACNA1C ACLY 1328/4885ACACB 490/4885ACACA 228/4885

“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.