SCHEMBL13744472

SCHEMBL13744472

CC(C)(CCC(=O)OCc1ccccc1)CCC(O)CCC(O)CCC(C)(C)CCC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 2/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
CDC25B P30305 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SLC15A1 P46059 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL13053718 0.93 ADRB2 (0.44) ALDH1A1MAPK1L3MBTL1LMNAADRB2
SCHEMBL13053691 0.87 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1LMNAADRB2
SCHEMBL13081019 0.85 ADRB2 (0.44) ALDH1A1MAPK1L3MBTL1LMNAADRB2
SCHEMBL29200278 0.84 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1LMNAADRB2
SCHEMBL31565173 0.84 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL3279769 0.84 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL21625336 0.82 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL12990296 0.82 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1LMNACDC25B
SCHEMBL31565177 0.81 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL6346856 0.81 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2

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 ALDH1A1 1727/4885MAPK1 1942/4885L3MBTL1 1580/4885

“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.