SCHEMBL288242

SCHEMBL288242

CCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
SLC25A20 O43772 3/20 1.00
TP53 P04637 3/20 1.00
TSHR P16473 3/20 1.00
CYP2D6 P10635 2/20 1.00
SLC6A5 Q9Y345 2/20 1.00
CYP2C9 P11712 2/20 1.00
HIF1A Q16665 2/20 1.00
CYP2C19 P33261 2/20 1.00
KDM4E B2RXH2 1/20 1.00
CYP3A4 P08684 1/20 1.00
NFKB1 P19838 1/20 1.00
THPO P40225 1/20 1.00
HSD17B10 Q99714 1/20 1.00
MAPK1 P28482 5/20 0.76
CYP1A2 P05177 4/20 0.76
GMNN O75496 3/20 0.76
LMNA P02545 3/20 0.76

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
Palmitoyl-Carnitine SCHEMBL115183 1.00 MAPT (1.00) MAPTMEN1KMT2ASLC25A20TP53
SCHEMBL288673 1.00 MAPT (1.00) MAPTMEN1KMT2ASLC25A20TP53
SCHEMBL19182624 1.00 MAPT (1.00) MAPTMEN1KMT2ASLC25A20TP53
SCHEMBL8050598 1.00 MAPT (1.00) MAPTMEN1KMT2ASLC25A20TP53
SCHEMBL17164609 1.00 MAPT (1.00) MAPTMEN1KMT2ASLC25A20TP53
SCHEMBL25373354 1.00 MAPT (1.00) MAPTMEN1KMT2ASLC25A20TP53
Palmitoyl-Carnitine SCHEMBL187668 1.00 MAPT (1.00) MAPTMEN1KMT2ASLC25A20TP53
Octanoylcarnitine SCHEMBL2915508 1.00 MAPT (1.00) MAPTMEN1KMT2ASLC25A20TP53
SCHEMBL188470 1.00 MAPT (1.00) MAPTMEN1KMT2ASLC25A20TP53
SCHEMBL198686 1.00 MAPT (1.00) MAPTMEN1KMT2ASLC25A20TP53

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10514383-B2 Diagnosis and treatment of neonatal encephalopathy INFANDX AG (DE) 2019-12-24 US claimed
US-20140308687-A1 Method and Use of Metabolites for the Diagnosis and Differentiation of Neonatal Encephalopathy INFANDX AG (DE) 2014-10-16 US claimed
US-20120136581-A1 Method of Diagnosing Asphyxia BIOCRATES LIFE SCIENCES AG (AT) 2012-05-31 US claimed
EP-2427773-A1 METHOD OF DIAGNOSING ASPHYXIA Keller, Matthias (DE) 2012-03-14 EP claimed
WO-2010128054-A1 METHOD OF DIAGNOSING ASPHYXIA BIOCRATES LIFE SCIENCES AG (AT) 2010-11-11 WO claimed
EP-2249161-A1 Method of diagnosing asphyxia BIOCRATES Life Sciences AG (AT) 2010-11-10 EP claimed
EP-1075461-B1 PERFLUORINATED ESTERS OF ALKANOYL L-CARNITINE FOR THE PREPARATION OF CATIONIC LIPIDS FOR THE INTRACELLULAR DELIVERY OF PHARMACOLOGICALLY ACTIVE COMPOUNDS SIGMA TAU IND FARMACEUTI (IT) 2004-07-28 EP claimed
EP-2771696-B1 METHODS MAKING USE OF PANELS OF METABOLITES FOR THE DIAGNOSIS AND DIFFERENTIATION OF NEONATAL ENCEPHALOPATHY INFANDX AG (DE) 2022-09-14 EP disclosed
US-11313866-B2 Method of diagnosing and treating asphyxia INFANDX AG (DE) 2022-04-26 US disclosed
EP-2249161-B1 Method of diagnosing asphyxia INFANDX AG (DE) 2020-05-13 EP disclosed
US-10514383-B2 Diagnosis and treatment of neonatal encephalopathy INFANDX AG (DE) 2019-12-24 US disclosed
US-20180011111-A1 Method of Diagnosing and Treating Asphyxia INFANDX AG (DE) 2018-01-11 US disclosed
US-9791459-B2 Method of diagnosing and treating asphyxia INFANDX AG (DE) 2017-10-17 US disclosed
WO-2013060788-A2 METHOD AND USE OF METABOLITES FOR THE DIAGNOSIS AND DIFFERENTIATION OF NEONATAL ENCEPHALOPATHY INFANDX AG (DE) 2013-05-02 WO disclosed
EP-2587264-A1 Method and use of metabolites for the diagnosis and differentiation of neonatal encephalopathy InfanDx AG (DE) 2013-05-01 EP disclosed
US-20120136581-A1 Method of Diagnosing Asphyxia BIOCRATES LIFE SCIENCES AG (AT) 2012-05-31 US disclosed
US-20120129265-A1 NEW BIOMARKERS FOR ASSESSING KIDNEY DISEASES BIOCRATES LIFE SCIENCES AG (AT) 2012-05-24 US disclosed
EP-2427773-A1 METHOD OF DIAGNOSING ASPHYXIA Keller, Matthias (DE) 2012-03-14 EP disclosed
WO-2010128054-A1 METHOD OF DIAGNOSING ASPHYXIA BIOCRATES LIFE SCIENCES AG (AT) 2010-11-11 WO disclosed
EP-2249161-A1 Method of diagnosing asphyxia BIOCRATES Life Sciences AG (AT) 2010-11-10 EP disclosed