SCHEMBL13053751

SCHEMBL13053751

COC(=O)C(C)(C)CCC(O)Cc1ccc(CC(O)CCC(C)(C)C(=O)OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.38
LDHA P00338 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
POLB P06746 1/20 0.36
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35
PTPRB P23467 2/20 0.33
TSHR P16473 1/20 0.33
ELANE P08246 1/20 0.33
MME P08473 1/20 0.33
PTGER2 P43116 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
BRS3 P32247 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL6199055 0.82 ACACB (0.42)
SCHEMBL10257325 0.81 ACACB (0.49) LDHAESR1POLBCXCR1CXCR2
SCHEMBL6180739 0.81 ELANE (0.43) ELANETRPV1PPARGPPARA
SCHEMBL13053746 0.80 ALDH1A1 (0.44) CTRB1TRPV1PPARGPPARA
SCHEMBL6181951 0.78 ACACB (0.47)
SCHEMBL6180277 0.77 RIPK1 (0.47) ELANE
SCHEMBL6181013 0.73 ALDH1A1 (0.36) ESR1ESR2POLBTSHR
SCHEMBL6179107 0.72 ACACB (0.53)
SCHEMBL10257627 0.71 TSHR (0.42) POLBTSHRPTGER2
SCHEMBL11509018 0.71 PTPRB (0.47) ESR1PTPRBELANE

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 5 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

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 CTRB1 1062/4885LDHA 2641/4885ESR1 963/4885
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 CTRB1 1331/4885LDHA 3150/4885ESR1 1686/4885

“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.