SCHEMBL187406

SCHEMBL187406

CC(C)(C)OC(=O)C1(CCCCBr)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
DGAT1 O75907 1/20 0.33
P4HB P07237 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL798460 0.98 CYP4F2 (0.53) CYP4F2CYP4A11DGAT1P4HBTDP1
SCHEMBL798231 0.98 CYP4F2 (0.53) CYP4F2CYP4A11DGAT1P4HBTDP1
SCHEMBL23971378 0.98 CYP4F2 (0.53) CYP4F2CYP4A11DGAT1P4HBTDP1
SCHEMBL23971374 0.98 CYP4F2 (0.53) CYP4F2CYP4A11DGAT1P4HBTDP1
SCHEMBL23971079 0.98 CYP4F2 (0.53) CYP4F2CYP4A11DGAT1P4HBTDP1
SCHEMBL6912977 0.95 CYP4F2 (0.49) CYP4F2CYP4A11DGAT1P4HBTDP1
SCHEMBL23971376 0.92 CYP4F2 (0.48) CYP4F2CYP4A11DGAT1
SCHEMBL23970732 0.92 CYP4F2 (0.48) CYP4F2CYP4A11DGAT1
SCHEMBL798227 0.89 CYP4F2 (0.60) CYP4F2CYP4A11DGAT1P4HBTDP1
SCHEMBL798441 0.89 CYP4F2 (0.60) CYP4F2CYP4A11DGAT1P4HBTDP1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701931-B1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2018-10-10 EP disclosed
US-20170073286-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2017-03-16 US disclosed
US-20170073286-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2017-03-16 US disclosed
US-9452964-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2016-09-27 US disclosed
US-9452964-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2016-09-27 US disclosed
EP-2402300-B1 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS INC (US) 2016-05-25 EP disclosed
US-20150344389-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2015-12-03 US disclosed
US-20150344389-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2015-12-03 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-9006290-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2015-04-14 US disclosed
US-20100137444-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2010-06-03 US disclosed
US-7705177-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPUETICS, INC. (US) 2010-04-27 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-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
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
US-7304093-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2007-12-04 US disclosed
US-20070155704-A1 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2007-07-05 US disclosed
US-20070149615-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES DASSEUX JEAN-LOUIS H 2007-06-28 US disclosed
US-20040198814-A1 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2004-10-07 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 (7 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-20150344389-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 CYP4F2 2014/4885CYP4A11 87/4885DGAT1 167/4885
US-20070155704-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 CYP4F2 1045/4885CYP4A11 107/4885DGAT1 162/4885
US-20040198814-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 CYP4F2 1045/4885CYP4A11 107/4885DGAT1 162/4885
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 CYP4F2 713/4885CYP4A11 91/4885DGAT1 130/4885
US-20170073286-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 CYP4F2 2014/4885CYP4A11 87/4885DGAT1 167/4885
US-20070149615-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 CYP4F2 1045/4885CYP4A11 107/4885DGAT1 162/4885
US-20100137444-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 CYP4F2 1045/4885CYP4A11 107/4885DGAT1 162/4885

“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.