SCHEMBL995307

SCHEMBL995307

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.79
KMT2A Q03164 5/20 0.79
MAPT P10636 4/20 0.79
SLC25A20 O43772 3/20 0.79
TP53 P04637 3/20 0.79
TSHR P16473 3/20 0.79
CYP2D6 P10635 2/20 0.79
SLC6A5 Q9Y345 2/20 0.79
CYP2C19 P33261 2/20 0.79
CYP2C9 P11712 2/20 0.79
HIF1A Q16665 2/20 0.79
KDM4E B2RXH2 1/20 0.79
CYP3A4 P08684 1/20 0.79
NFKB1 P19838 1/20 0.79
THPO P40225 1/20 0.79
HSD17B10 Q99714 1/20 0.79
RECQL P46063 1/20 0.63
MAPK1 P28482 4/20 0.59
CYP1A2 P05177 4/20 0.59
GMNN O75496 3/20 0.59

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
SCHEMBL11973504 1.00 MEN1 (0.79) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL28525260 1.00 MEN1 (0.79) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL997303 1.00 MEN1 (0.79) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL15050371 1.00 MEN1 (0.79) MEN1KMT2AMAPTSLC25A20TP53
Hydrochloric Acid SCHEMBL28705824 0.99 MEN1 (0.77) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL14931520 0.98 MEN1 (0.76) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL787164 0.94 MEN1 (0.74) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL8593280 0.94 MEN1 (0.74) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL18075036 0.94 MEN1 (0.88) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL16344748 0.94 MEN1 (0.88) MEN1KMT2AMAPTSLC25A20TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025235969-A2 METHODS OF TREATMENT USING BIOMARKER-GUIDED PLASMAPHERESIS CIRCULATE HEALTH, INC. (US) 2025-11-13 WO disclosed
US-20250314660-A1 METABOLIC BIOMARKERS FOR ASSESSING FRIEDREICH'S ATAXIA IN A SUBJECT THE TRUSTEES OF INDIANA UNIVERSITY 2025-10-09 US disclosed
US-20240192216-A1 METABOLIC BIOMARKER SET FOR ASSESSING OVARIAN CANCER BIOCRATES LIFE SCIENCES AG (AT) 2024-06-13 US disclosed
US-20240142469-A1 METABOLIC BIOMARKERS FOR ASSESSING HEART FAILURE IN A SINGLE VENTRICLE PEDIATRIC SUBJECT THE TRUSTEES OF INDIANA UNIVERSITY 2024-05-02 US disclosed
EP-3775906-B1 METABOLITE-BASED BREAST CANCER DETECTION AND DIAGNOSIS BURWINKEL BARBARA (DE) 2023-08-30 EP disclosed
US-11519899-B2 Metabolomics profiling of central nervous system injury LONDON HEALTH SCIENCES CENTRE RESEARCH INC. (CA) 2022-12-06 US disclosed
US-11506665-B2 Metabolic biomarker set for assessing ovarian cancer BIOCRATES LIFE SCIENCES AG (AT) 2022-11-22 US disclosed
US-11493516-B2 Biomarkers for assessing breast cancer METABOLOMYCS, INC (US) 2022-11-08 US disclosed
US-11481701-B2 Computer-based dynamic data analysis MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2022-10-25 US disclosed
US-20220187315-A1 METHODS AND COMPOSITIONS FOR DIAGNOSING DEPRESSION DUKE UNIVERSITY 2022-06-16 US disclosed
WO-2015150360-A1 BIOMARKERS FOR ASSESSING HIV IDCGS CLINICA DE DIAGNOSTICOS MEDICOS (BR) 2015-10-08 WO disclosed
EP-2927691-A1 Biomarkers for assessing HIV IDCGS clinica de Diagnosticos Medicos (BR) 2015-10-07 EP disclosed
US-20140297195-A1 Method and Use of Metabolites for the Diagnosis of Inflammatory Brain Injury in Preterm Born Infants INFANDX AG (DE) 2014-10-02 US disclosed
WO-2014071384-A1 COMPUTER-BASED DYNAMIC DATA ANALYSIS RINALDO PIERO (US) 2014-05-08 WO disclosed
US-20130164856-A1 METHOD OF PROCESSING DRIED SAMPLES USING DIGITAL MICROFLUIDIC DEVICE THE GOVERNING COUNCIL OF THE UNIVERSITH OF TORONTO (CA) 2013-06-27 US disclosed
US-20120214870-A1 METHODS FOR DIAGNOSIS AND TREATMENT OF CHRONIC FATIGUE SYNDROME UNIVERSITY OF SOUTH AUSTRALIA (AU) 2012-08-23 US disclosed
US-20120208282-A1 Method For Normalization in Metabolomics Analysis Methods with Endogenous Reference Metabolites. BIOCRATES LIFE SCIENCES AG 2012-08-16 US disclosed
US-20120136581-A1 Method of Diagnosing Asphyxia BIOCRATES LIFE SCIENCES AG (AT) 2012-05-31 US disclosed
EP-2449488-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES Life Sciences AG (AT) 2012-05-09 EP disclosed
WO-2011000753-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES LIFE SCIENCES AG (AT) 2011-01-06 WO disclosed