SCHEMBL13744313

SCHEMBL13744313

COC(=O)C(C)(C)CCC(O)c1ccc(C(O)CCC(C)(C)OC(C)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.42
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
HIF1A Q16665 1/20 0.33
ADRB2 P07550 1/20 0.32
ELANE P08246 1/20 0.31
GAA P10253 2/20 0.31
AOC3 Q16853 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL6180277 0.89 RIPK1 (0.47) RIPK1ALDH1A1LMNACYP3A4HIF1A
SCHEMBL9528642 0.81 RIPK1 (0.65) RIPK1ALDH1A1LMNACYP3A4NPC1
SCHEMBL14268006 0.79 ACACB (0.38) GAA
SCHEMBL6180282 0.74 CYP4A11 (0.35) RIPK1ADRB2GAA
SCHEMBL13106131 0.72 ACACB (0.51) MAPTALDH1A1CYP3A4GAA
SCHEMBL2737000 0.71 RIPK1 (0.56) RIPK1LMNA
SCHEMBL6183996 0.70 RIPK1 (0.53) RIPK1ALDH1A1LMNAELANE
SCHEMBL28808824 0.70 RIPK1 (0.65) RIPK1LMNAAOC3NPC1
SCHEMBL1765761 0.70 RIPK1 (0.56) RIPK1MAPTALDH1A1CYP3A4GAA
SCHEMBL6199055 0.69 ACACB (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 RIPK1 636/4885MAPT 344/4885ALDH1A1 1727/4885

“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.