SCHEMBL10258105

SCHEMBL10258105

O=C1CC(CCC(O)CCC(O)CCC2CCOC(=O)C2)CCO1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
PTGER4 P35408 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31
NAAA Q02083 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
SCHEMBL10256647 0.93 CYP1A2 (0.54) CYP1A2
SCHEMBL13053926 0.86 CYP1A2 (0.58) CYP1A2NAAA
SCHEMBL2737006 0.84 CHRM5 (0.37) CYP1A2
SCHEMBL6530815 0.79 CYP1A2 (0.53) CYP1A2
SCHEMBL10261404 0.77 CYP1A2 (0.37) CYP1A2
SCHEMBL10257768 0.74 PTGER4 (0.33) PTGER4PTGER3PTGER2
SCHEMBL893893 0.73 CYP1A2 (0.76) CYP1A2
SCHEMBL10264187 0.73 KCNH3 (0.32)
SCHEMBL3282675 0.73 CYP1A2 (0.54) CYP1A2NAAA
SCHEMBL6530812 0.71 CYP1A2 (0.53) CYP1A2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402300-A1 Hydroxyl compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2012-01-04 EP disclosed
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-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-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-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-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
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

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 CYP1A2 1429/4885PTGER4 676/4885PTGER3 548/4885
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 CYP1A2 1102/4885PTGER4 1662/4885PTGER3 967/4885

“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.