Didecyldimethylammonium

Didecyldimethylammonium

SCHEMBL5055337

CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.O=C(O)c1cccnc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
APP P05067 1/20 0.58
GAA P10253 1/20 0.58
HCAR3 P49019 1/20 0.58
HCAR2 Q8TDS4 1/20 0.58
LMNA P02545 5/20 0.56
L3MBTL1 Q9Y468 1/20 0.51
TBXAS1 P24557 1/20 0.51
MAPT P10636 3/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
NPC1 O15118 1/20 0.50
HTT P42858 4/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
MEN1 O00255 3/20 0.47

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
Didecyldimethylammonium SCHEMBL5055335 0.88 LMNA (0.54) ALDH1A1LMNAL3MBTL1TBXAS1MAPT
Tetrabuthylammonium SCHEMBL5991815 0.87 ALDH1A1 (0.64) ALDH1A1APPGAAHCAR3HCAR2
Dodecanol SCHEMBL29027299 0.84 ALDH1A1 (0.64) ALDH1A1APPGAAHCAR3HCAR2
Myristyl Alcohol SCHEMBL28139245 0.84 ALDH1A1 (0.64) ALDH1A1APPGAAHCAR3HCAR2
Niacin SCHEMBL9557236 0.84 ALDH1A1 (0.64) ALDH1A1APPGAAHCAR3HCAR2
Benzoic Acid SCHEMBL10580424 0.84 DNM1 (0.57) ALDH1A1LMNASMN1; SMN2HTTMEN1
Didecyldimethylammonium SCHEMBL5055371 0.84 DNM1 (0.57) ALDH1A1LMNASMN1; SMN2HTTMEN1
Myristic Acid SCHEMBL29175735 0.83 TBXAS1 (0.70) ALDH1A1APPGAAHCAR3HCAR2
Octacosanol SCHEMBL4281718 0.83 ALDH1A1 (0.62) ALDH1A1APPGAAHCAR3HCAR2
Niacin SCHEMBL28742512 0.81 ALDH1A1 (0.64) ALDH1A1APPGAAHCAR3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802596-B2 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-08-12 US disclosed
US-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-10-18 US disclosed
EP-1931760-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS The University of Alabama (US) 2008-06-18 EP disclosed
WO-2007044693-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS THE UNIVERSITY OF ALABAMA (US) 2007-04-19 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 (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-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients SLC5A6, PNLIP, IPMK ALDH1A1 2937/4885APP 2942/4885GAA 2574/4885

“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.