SCHEMBL8742276

SCHEMBL8742276

COC(=O)C(C)(C)CCC(=O)c1ccc(C(=O)CCC(C)(C)COC=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ELANE P08246 2/20 0.36
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
MMP1 P03956 1/20 0.34
ALOX15 P16050 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B3 P37058 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
GAA P10253 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
MAPT P10636 1/20 0.33
HDAC8 Q9BY41 2/20 0.32
HDAC1 Q13547 2/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL3286504 0.84 ALDH1A1 (0.49) ALDH1A1L3MBTL1ELANELMNAMAPK1
SCHEMBL8742196 0.82 VNN1 (0.37) L3MBTL1ELANELMNATDP1NR1H4
SCHEMBL8743100 0.82
SCHEMBL8742327 0.80
SCHEMBL3333245 0.79 ALDH1A1 (0.44) ALDH1A1L3MBTL1ELANELMNAMAPK1
SCHEMBL8744286 0.74 CYP4F2 (0.33)
SCHEMBL8743262 0.74
SCHEMBL7951244 0.71 CHRNA1 (0.43) ALDH1A1L3MBTL1LMNAMAPTNPC1
SCHEMBL12230981 0.71 DGAT1 (0.35)
SCHEMBL12092651 0.69 ACACB (0.45)

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 ALDH1A1 2044/4885L3MBTL1 3312/4885ELANE 1017/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 ALDH1A1 2141/4885L3MBTL1 3242/4885ELANE 938/4885

“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.