SCHEMBL1106784

SCHEMBL1106784

CC(=O)C1(CCCCC(O)CCCCC2(C(=O)c3ccccc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
CETP P11597 5/20 0.33
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TRPA1 O75762 1/20 0.33
LTB4R Q15722 2/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
KMT2A Q03164 2/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
MAPT P10636 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 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
SCHEMBL1106814 0.99 TRPA1 (0.35) LMNACETPALDH1A1L3MBTL1TRPA1
SCHEMBL1106807 0.82 FFAR4 (0.36)
SCHEMBL15417564 0.81 FFAR4 (0.39) ALDH1A1MAPT
SCHEMBL1106810 0.79 FFAR4 (0.36)
SCHEMBL1106734 0.79 ALDH1A1 (0.41) LMNAALDH1A1L3MBTL1TRPA1KMT2A
SCHEMBL12138665 0.79 ALDH1A1 (0.45) LMNAALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL1106809 0.78 FFAR4 (0.39)
SCHEMBL12138689 0.78 ALDH1A1 (0.44) LMNAALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL1151009 0.72 ALDH1A1 (0.38) LMNAALDH1A1L3MBTL1TRPA1LTB4R
SCHEMBL10091370 0.71 CYP4F2 (0.39)

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-20130040916-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2013-02-14 US disclosed
US-8309604-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2012-11-13 US disclosed
US-8153690-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management ESPERION THERAPEUTICS, INC. (US) 2012-04-10 US disclosed
US-20120035141-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT ESPERION THERAPEUTICS, INC. (US) 2012-02-09 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-20120035141-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT PNLIP, NR1H3, NR1H2 LMNA 3998/4885CETP 20/4885ALDH1A1 1851/4885
US-20130040916-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 LMNA 3944/4885CETP 16/4885ALDH1A1 2139/4885

“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.