SCHEMBL8742196

SCHEMBL8742196

COC(=O)C(C)(C)CCC(=O)Cc1ccc(CC(=O)CCC(C)(C)COC=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 6/20 0.37
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
ELANE P08246 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8743100 0.85
SCHEMBL3280890 0.85 VNN1 (0.42) VNN1CYP4F2CYP4A11LMNAMAPT
SCHEMBL8742327 0.83
SCHEMBL8742276 0.82 ALDH1A1 (0.39) LMNAMAPTTDP1L3MBTL1NR1H4
SCHEMBL8743262 0.75
SCHEMBL8744286 0.75 CYP4F2 (0.33) CYP4F2CYP4A11
SCHEMBL27557711 0.75 ELANE (0.38) VNN1LMNAMAPTELANEHTT
SCHEMBL14350710 0.71 CYP4F2 (0.44) VNN1CYP4F2CYP4A11LMNAMAPT
SCHEMBL3280317 0.70 ELANE (0.46) VNN1MAPTTDP1L3MBTL1ELANE
SCHEMBL12230981 0.69 DGAT1 (0.35)

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 VNN1 4430/4885CYP4F2 999/4885CYP4A11 101/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 VNN1 4359/4885CYP4F2 1045/4885CYP4A11 107/4885

“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.