SCHEMBL1106814

SCHEMBL1106814

CC(=O)C1(CCCCCC(O)CCCCCC2(C(=O)c3ccccc3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
CETP P11597 4/20 0.34
LTB4R Q15722 2/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 4/20 0.32
ALDH1A1 P00352 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
FFAR1 O14842 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.31

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
SCHEMBL1106784 0.99 LMNA (0.33) TRPA1CETPLTB4RLMNAL3MBTL1
SCHEMBL15417564 0.83 FFAR4 (0.39) ALDH1A1FFAR4ACACBACACAFFAR1
SCHEMBL1106807 0.81 FFAR4 (0.36) FFAR4ACACBACACAFFAR1
SCHEMBL1106734 0.81 ALDH1A1 (0.41) TRPA1LMNAL3MBTL1ALDH1A1MAPT
SCHEMBL1106809 0.80 FFAR4 (0.39) FFAR4ACACBACACAFFAR1
SCHEMBL1106765 0.79 ALDH1A1 (0.42) LMNAL3MBTL1ALDH1A1MAPTTDP1
SCHEMBL12138689 0.79 ALDH1A1 (0.44) LMNAL3MBTL1ALDH1A1MAPT
SCHEMBL1106810 0.78 FFAR4 (0.36) FFAR4ACACBACACAFFAR1
SCHEMBL12138665 0.78 ALDH1A1 (0.45) LMNAL3MBTL1ALDH1A1MAPT
SCHEMBL13818712 0.73 ACACB (0.67) FFAR4ACACBACACAFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623915-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2014-01-07 US disclosed
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 TRPA1 3246/4885CETP 20/4885LTB4R 727/4885
US-20130040916-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 TRPA1 3778/4885CETP 16/4885LTB4R 758/4885

“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.