SCHEMBL186576

SCHEMBL186576

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
FFAR1 O14842 1/20 0.40
TBXAS1 P24557 2/20 0.38
PTPN1 P18031 1/20 0.38
GPR84 Q9NQS5 5/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
FAAH O00519 2/20 0.33
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL18633532 0.98 FFAR4 (0.39) FFAR4ACACBACACAFFAR1TBXAS1
SCHEMBL186552 0.98 FFAR4 (0.37) FFAR4ACACBACACAFFAR1TBXAS1
SCHEMBL14106427 0.94 TBXAS1 (0.41) FFAR4ACACBACACAFFAR1TBXAS1
SCHEMBL186831 0.92 TBXAS1 (0.46) FFAR4ACACBACACAFFAR1TBXAS1
SCHEMBL17764132 0.92 TBXAS1 (0.36) FFAR4ACACBACACAFFAR1TBXAS1
SCHEMBL1151239 0.92 CYP2C19 (0.34) FFAR4ACACBACACAFFAR1TBXAS1
SCHEMBL17099445 0.91 FFAR1 (0.54) FFAR4FFAR1GPR84FAAHACE2
SCHEMBL1106809 0.91 FFAR4 (0.39) FFAR4ACACBACACAFFAR1TBXAS1
SCHEMBL187698 0.90 TBXAS1 (0.40) FFAR4ACACBACACAFFAR1TBXAS1
SCHEMBL186819 0.90 CYP2C19 (0.44) FFAR4ACACBACACAFFAR1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3119388-B1 CARBOXY-CYCLOPROPYL UNDECANOL COMPOUNDS FOR TREATMENT OF LIVER DISEASE AND OTHER MEDICAL DISORDERS ESPERION THERAPEUTICS INC (US) 2020-06-17 EP claimed
US-20170209402-A1 CARBOXY-CYCLOPROPYL UNDECANOL COMPOUNDS FOR TREATMENT OF LIVER DISEASE AND OTHER MEDICAL DISORDERS ESPERION THERAPEUTICS, INC. 2017-07-27 US claimed
EP-2402300-B1 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS INC (US) 2016-05-25 EP claimed
CN-110054562-B Substituted pentadecanedioic acid compound, pharmaceutical composition and use thereof 深圳市塔吉瑞生物医药有限公司 2022-04-22 CN disclosed
US-20200189999-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2020-06-18 US disclosed
US-20200189999-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2020-06-18 US disclosed
EP-3119388-B1 CARBOXY-CYCLOPROPYL UNDECANOL COMPOUNDS FOR TREATMENT OF LIVER DISEASE AND OTHER MEDICAL DISORDERS ESPERION THERAPEUTICS INC (US) 2020-06-17 EP disclosed
EP-3119388-B1 CARBOXY-CYCLOPROPYL UNDECANOL COMPOUNDS FOR TREATMENT OF LIVER DISEASE AND OTHER MEDICAL DISORDERS ESPERION THERAPEUTICS INC (US) 2020-06-17 EP disclosed
WO-2019179494-A1 SUBSTITUTED PENTADECANEDIOIC ACID COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 2019-09-26 WO disclosed
WO-2019179494-A1 SUBSTITUTED PENTADECANEDIOIC ACID COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 2019-09-26 WO disclosed
US-20190084908-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2019-03-21 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-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-20060229281-A1 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 ESPERION THERAPEUTIC, INC. 2006-10-12 US disclosed
US-7119221-B2 treating and preventing a variety of diseases and conditions such as aging, Alzheimer's Disease, cancer, cardiovascular disease, diabetic retinopathy, dyslipidemia, dyslipoproteinemia, hypertension, impotence, insulin resistance, peroxisome proliferator activated receptor associated disorders ESPERION THERAPEUTICS, INC. (US) 2006-10-10 US disclosed
EP-1597223-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2005-11-23 EP disclosed
US-20040209847-A1 treating and preventing a variety of diseases and conditions such as aging, Alzheimer's Disease, cancer, cardiovascular disease, diabetic retinopathy, dyslipidemia, dyslipoproteinemia, hypertension, impotence, insulin resistance, peroxisome proliferator activated receptor associated disorders ESPERION THERAPEUTICS, INC. 2004-10-21 US disclosed
WO-2004067489-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2004-08-12 WO 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 (6 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-20190084908-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-20040209847-A1 treating and preventing a variety of diseases and conditions such as aging, Alzheimer's Disease, cancer, cardiovascular disease, diabetic retinopathy, dyslipidemia, dyslipoproteinemia, hypertension, impotence, insulin resistance, peroxisome proliferator activated receptor associated disorders PNLIP, APOL1, NR1H3 FFAR4 198/4885ACACB 238/4885ACACA 185/4885
US-20200189999-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 FFAR4 295/4885ACACB 204/4885ACACA 158/4885
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 112/4885ACACB 78/4885ACACA 49/4885
US-20060229281-A1 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 PNLIP, CYP27A1, GPR119 FFAR4 86/4885ACACB 315/4885ACACA 280/4885

“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.