SCHEMBL6181013

SCHEMBL6181013

CC(C)(O)CCC(O)Cc1ccc(CC(O)CCC(C)(C)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
RIPK1 Q13546 1/20 0.33
POLB P06746 1/20 0.33
TAAR1 Q96RJ0 3/20 0.32
SLC6A2 P23975 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A4 P31645 1/20 0.32
CCR1 P32246 1/20 0.31
CYP2D6 P10635 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
SCHEMBL6184684 0.80 RECQL (0.32) ALDH1A1RIPK1POLBTAAR1SLC6A2
SCHEMBL10257627 0.77 TSHR (0.42) ALDH1A1POLBTP53TSHRSLC6A4
SCHEMBL10257325 0.77 ACACB (0.49) POLBESR1TSHR
SCHEMBL10257119 0.77 ALDH1A1 (0.53) ALDH1A1TSHR
SCHEMBL2736999 0.76 POLB (0.38) POLBTP53TSHR
SCHEMBL4949124 0.73 TRPA1 (0.43) POLBTAAR1SLC6A2SLC6A4
SCHEMBL13053751 0.73 CTRB1 (0.38) POLBESR1ESR2TSHR
SCHEMBL13053745 0.72 S1PR1 (0.37) POLB
SCHEMBL5907112 0.70 ALDH1A1 (0.45) ALDH1A1TSHR
SCHEMBL5105980 0.70 TRPA1 (0.52) POLBTAAR1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404890-A1 Hydroxyl compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2012-01-11 EP disclosed
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
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 1727/4885RIPK1 636/4885POLB 2525/4885
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 2154/4885RIPK1 853/4885POLB 3745/4885

“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.