SCHEMBL1106809

SCHEMBL1106809

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
FFAR1 O14842 1/20 0.39
GPR84 Q9NQS5 5/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
TBXAS1 P24557 2/20 0.34
PTPN1 P18031 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL1106810 0.98 FFAR4 (0.36) FFAR4ACACBACACAFFAR1GPR84
SCHEMBL15417564 0.93 FFAR4 (0.39) FFAR4ACACBACACAFFAR1GPR84
SCHEMBL186576 0.91 FFAR4 (0.40) FFAR4ACACBACACAFFAR1GPR84
SCHEMBL1106807 0.91 FFAR4 (0.36) FFAR4ACACBACACAFFAR1GPR84
SCHEMBL18633532 0.90 FFAR4 (0.39) FFAR4ACACBACACAFFAR1GPR84
SCHEMBL186552 0.89 FFAR4 (0.37) FFAR4ACACBACACAFFAR1GPR84
SCHEMBL798425 0.88 CYP4F2 (0.42) CYP4F2CYP4A11TBXAS1
SCHEMBL798176 0.88 CYP4F2 (0.42) CYP4F2CYP4A11TBXAS1
SCHEMBL798269 0.88 CYP4F2 (0.42) CYP4F2CYP4A11TBXAS1
SCHEMBL798268 0.88 CYP4F2 (0.42) CYP4F2CYP4A11TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170209402-A1 CARBOXY-CYCLOPROPYL UNDECANOL COMPOUNDS FOR TREATMENT OF LIVER DISEASE AND OTHER MEDICAL DISORDERS ESPERION THERAPEUTICS, INC. 2017-07-27 US disclosed
US-9006290-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2015-04-14 US disclosed
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-20120172337-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2012-07-05 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 (4 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 FFAR4 241/4885ACACB 269/4885ACACA 207/4885
US-20120172337-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 FFAR4 295/4885ACACB 204/4885ACACA 158/4885
US-20170209402-A1 CARBOXY-CYCLOPROPYL UNDECANOL COMPOUNDS FOR TREATMENT OF LIVER DISEASE AND OTHER MEDICAL DISORDERS CES1, SLC10A1, LIPC FFAR4 136/4885ACACB 35/4885ACACA 25/4885
US-20130040916-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 FFAR4 295/4885ACACB 204/4885ACACA 158/4885

“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.