SCHEMBL1146783

SCHEMBL1146783

COCC1(CCCCC(O)CCCCC2(CC(=O)O)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.35
FFAR1 O14842 1/20 0.35
GPR84 Q9NQS5 4/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
CYP1A2 P05177 2/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30
CACNA2D1 P54289 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FAAH O00519 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
SCHEMBL1146690 0.99 FFAR4 (0.37) FFAR4FFAR1GPR84ACACBACACA
SCHEMBL1146584 0.95 FFAR4 (0.33) FFAR4FFAR1GPR84CYP1A2USP2
SCHEMBL1146226 0.87 FFAR4 (0.39) FFAR4FFAR1GPR84ACACBACACA
SCHEMBL1146781 0.86 FFAR4 (0.42) FFAR4FFAR1GPR84ACACBACACA
SCHEMBL2737156 0.83 FFAR4 (0.41) FFAR4FFAR1GPR84ACACBACACA
SCHEMBL1106728 0.83 FFAR4 (0.30) FFAR4FFAR1
SCHEMBL1146831 0.82 CYP1A2 (0.38) FFAR4FFAR1GPR84ACACBACACA
SCHEMBL2737155 0.82 FFAR4 (0.44) FFAR4FFAR1GPR84ACACBACACA
SCHEMBL15417560 0.82 FFAR4 (0.37) FFAR4FFAR1GPR84ACACBACACA
SCHEMBL1106755 0.82 FFAR4 (0.33) FFAR4FFAR1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8067466-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management ESPERION THERAPEUTICS, INC. (US) 2011-11-29 US disclosed
US-20080249166-A1 Inhibiting hepatic fatty acid and sterol synthesis; use with statins; compounds such as cyclopropyl or cyclobutyl-functional hydroxy-functional alpha,gamma-alkanediacids ESPERION THERAPEUTICS, INC. (US) 2008-10-09 US disclosed
US-7405226-B2 e.g. ethyl 11-[1-(t-butoxycarbonyl)cyclopropyl]-2,2-dimethyl-7-oxoundecanoate; peroxisome proliferator activated receptor antagonist; cholesterol reducing, anticarcinogenic, antiinflammatory agent; aging, Alzheimer's Disease, cardiovascular disease, diabetic retinopathy, dyslipidemia, insulin resistance PFIZER INC. (US) 2008-07-29 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 (3 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 241/4885FFAR1 148/4885GPR84 225/4885
US-20120172337-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 FFAR4 295/4885FFAR1 177/4885GPR84 266/4885
US-20080249166-A1 Inhibiting hepatic fatty acid and sterol synthesis; use with statins; compounds such as cyclopropyl or cyclobutyl-functional hydroxy-functional alpha,gamma-alkanediacids PNLIP, NR1H3, NR1H2 FFAR4 112/4885FFAR1 80/4885GPR84 418/4885

“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.