SCHEMBL6180729

SCHEMBL6180729

CC(C)(CCCC(O)CCCC(O)CCCC(C)(C)C(=O)OCc1ccccc1)CC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC15A1 P46059 2/20 0.40
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CDC25B P30305 1/20 0.36
PRKCA P17252 1/20 0.35
PRKCD Q05655 1/20 0.35
MBOAT4 Q96T53 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ABCC3 O15438 1/20 0.35

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
SCHEMBL6182029 0.94 ALDH1A1 (0.40) ALDH1A1MAPK1L3MBTL1SLC15A1ADRB2
SCHEMBL13053960 0.93 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1SLC15A1ADRB2
SCHEMBL14269151 0.86 ACACB (0.50) ALDH1A1MAPK1L3MBTL1SLC15A1ACACB
SCHEMBL6196454 0.86 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1ACACBACACA
SCHEMBL13106125 0.85 ACACB (0.53) ALDH1A1MAPK1L3MBTL1SLC15A1ACACB
SCHEMBL13053691 0.85 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1SLC15A1ADRB2
SCHEMBL3286514 0.85 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1SLC15A1SMN1; SMN2
SCHEMBL6344409 0.84 ALDH1A1 (0.40) ALDH1A1MAPK1L3MBTL1SLC15A1SMN1; SMN2
SCHEMBL13081019 0.82 ADRB2 (0.44) ALDH1A1MAPK1L3MBTL1ADRB2ADRB1
SCHEMBL2736911 0.82 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1ADRB2ADRB1

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-7838554-B2 dyslipidemia; regulating lipid, lipoprotein, insulin, glucose levels in the blood; 6,9-Dihydroxy-2,2,13,13-tetramethyl-tetradecanedioic acid; 2,2,13,13-Tetramethyl-tetradecane-1,6,9,14-tetraol; 6,10-Dihydroxy-2,2,14,14-tetramethyl-pentadecanedioic acid; 2,2,14,14-Tetramethyl-pentadecane-1,6,10,15-tetraol ESPERION THERAPEUTICS, INC. (US) 2010-11-23 US disclosed
US-20090247489-A1 dyslipidemia; regulating lipid, lipoprotein, insulin, glucose levels in the blood; 6,9-Dihydroxy-2,2,13,13-tetramethyl-tetradecanedioic acid; 2,2,13,13-Tetramethyl-tetradecane-1,6,9,14-tetraol; 6,10-Dihydroxy-2,2,14,14-tetramethyl-pentadecanedioic acid; 2,2,14,14-Tetramethyl-pentadecane-1,6,10,15-tetraol ESPERION THERAPEUTICS, INC. 2009-10-01 US disclosed
US-7576130-B2 Tetramethyltetradecanetetraols as anticarcinogenic, anticholesterol, antidiabetic and hypotensive agents; metabolic disorders, peroxisome proliferator activated receptor associated disorder, Alzheimer's Disease, obesity, pancreatitis; increased HDL levels and lowers LDL levels; combination therapy ESPERION THERAPEUTICS, INC. (US) 2009-08-18 US disclosed
US-20080064661-A1 Tetramethyltetradecanetetraols as anticarcinogenic, anticholesterol, antidiabetic and hypotensive agents; metabolic disorders, peroxisome proliferator activated receptor associated disorder, Alzheimer's Disease, obesity, pancreatitis; increased HDL levels and lowers LDL levels; combination therapy ESPERION THERAPEUTICS, INC. 2008-03-13 US disclosed
US-7335689-B2 for example, 6,9-Dihydroxy-2,2,13,13-tetramethyl-tetradecanedioic acid, 2,2,13,13-Tetramethyl-tetradecane-1,6,9,14-tetraol, 6,10-Dihydroxy-2,2,14,14-tetramethyl-pentadecanedioic acid; treatment of Alzheimer's Disease, metabolic syndrome disorder, cancer, cardiovascular disease, diabetic nephropathy ESPERION THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
EP-1597223-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2005-11-23 EP 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 (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-20080064661-A1 Tetramethyltetradecanetetraols as anticarcinogenic, anticholesterol, antidiabetic and hypotensive agents; metabolic disorders, peroxisome proliferator activated receptor associated disorder, Alzheimer's Disease, obesity, pancreatitis; increased HDL levels and lowers LDL levels; combination therapy PNLIP, APOL1, NR1H3 ALDH1A1 1727/4885MAPK1 1942/4885L3MBTL1 1580/4885
US-20090247489-A1 dyslipidemia; regulating lipid, lipoprotein, insulin, glucose levels in the blood; 6,9-Dihydroxy-2,2,13,13-tetramethyl-tetradecanedioic acid; 2,2,13,13-Tetramethyl-tetradecane-1,6,9,14-tetraol; 6,10-Dihydroxy-2,2,14,14-tetramethyl-pentadecanedioic acid; 2,2,14,14-Tetramethyl-pentadecane-1,6,10,15-tetraol PNLIP, GPR119, APOL1 ALDH1A1 2154/4885MAPK1 1687/4885L3MBTL1 1288/4885

“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.