SCHEMBL288777

SCHEMBL288777

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
CYP1A2 P05177 3/20 0.65
HRH1 P35367 1/20 0.65
CYP2C19 P33261 2/20 0.61
RECQL P46063 1/20 0.61
SLC25A20 O43772 3/20 0.52
TP53 P04637 2/20 0.52
CYP2D6 P10635 2/20 0.52
TSHR P16473 2/20 0.52
SLC6A5 Q9Y345 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
NFKB1 P19838 1/20 0.52
THPO P40225 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SLC22A16 Q86VW1 1/20 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
SCHEMBL29405785 1.00 MEN1 (0.65) MEN1KMT2ACYP1A2HRH1CYP2C19
Hydrochloric Acid SCHEMBL11154395 0.85 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL19469394 0.85 LMNA (0.62) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL22028173 0.83 LMNA (0.60) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL289057 0.82 MEN1 (0.68) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL29541081 0.82 MEN1 (0.63) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL10950131 0.82 MEN1 (0.63) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL288893 0.82 MEN1 (0.63) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL3446901 0.81 MEN1 (0.61) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL609998 0.81 MEN1 (0.61) MEN1KMT2ACYP1A2HRH1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240094216-A1 ODD CHAIN FATTY ACID THERAPY FOR THE TREATMENT OF MITOCHONDRIAL DISEASES UNIVERSITY OF SOUTH CAROLINA 2024-03-21 US claimed
US-20230375561-A1 METHODS FOR IDENTIFICATION, STRATIFICATION, AND TREATMENT OF CNS DISEASES KADDURAH DAOUK RIMA F (US) 2023-11-23 US claimed
US-20230018537-A1 PREDICTING AND ADDRESSING SEVERE DISEASE IN INDIVIDUALS WITH SEPSIS THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. (US) 2023-01-19 US claimed
EP-4082028-A1 PREDICTING AND ADDRESSING SEVERE DISEASE IN INDIVIDUALS WITH SEPSIS The Henry M. Jackson Foundation for the Advancement of Military Medicine, Inc. (US) 2022-11-02 EP claimed
US-20220187315-A1 METHODS AND COMPOSITIONS FOR DIAGNOSING DEPRESSION DUKE UNIVERSITY 2022-06-16 US claimed
WO-2022081350-A2 METHODS FOR IDENTIFICATION, STRATIFICATION, AND TREATMENT OF CNS DISEASES DUKE UNIVERSITY (US) 2022-04-21 WO claimed
US-20220034893-A1 Metabolomic Signatures for Predicting, Diagnosing, and Prognosing Various Diseases Including Cancer Metabolomycs, Inc. (US) 2022-02-03 US claimed
EP-3938528-A1 METHODS AND COMPOSITIONS FOR DIAGNOSING DEPRESSION Duke University (US) 2022-01-19 EP claimed
US-11181525-B2 Metabolomic signatures for predicting, diagnosing, and prognosing various diseases including cancer Metabolomyes, Inc. (US) 2021-11-23 US claimed
WO-2021134027-A1 PREDICTING AND ADDRESSING SEVERE DISEASE IN INDIVIDUALS WITH SEPSIS HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE (US) 2021-07-01 WO claimed
EP-2492690-A1 Method and use of metabolites for the diagnosis of inflammatory brain injury in preterm born infants BIOCRATES Life Sciences AG (AT) 2012-08-29 EP claimed
US-20120208282-A1 Method For Normalization in Metabolomics Analysis Methods with Endogenous Reference Metabolites. BIOCRATES LIFE SCIENCES AG 2012-08-16 US claimed
US-20120136581-A1 Method of Diagnosing Asphyxia BIOCRATES LIFE SCIENCES AG (AT) 2012-05-31 US claimed
CN-102473208-A Method for normalization in metabolomics analysis methods using endogenous reference metabolites BIOCRATES LIFE SCIENCES AG 2012-05-23 CN claimed
EP-2449488-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES Life Sciences AG (AT) 2012-05-09 EP claimed
EP-2427773-A1 METHOD OF DIAGNOSING ASPHYXIA Keller, Matthias (DE) 2012-03-14 EP claimed
WO-2011000753-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES LIFE SCIENCES AG (AT) 2011-01-06 WO claimed
EP-2270699-A1 Method for normalization in metabolomics analysis methods with endogenous reference metabolites BIOCRATES Life Sciences AG (AT) 2011-01-05 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20240094216-A1 ODD CHAIN FATTY ACID THERAPY FOR THE TREATMENT OF MITOCHONDRIAL DISEASES NDUFAB1, OAT, CPT2 MEN1 3476/4885KMT2A 2356/4885CYP1A2 783/4885
US-20230375561-A1 METHODS FOR IDENTIFICATION, STRATIFICATION, AND TREATMENT OF CNS DISEASES SLC25A20, CPT2, NDUFAB1 MEN1 2449/4885KMT2A 1149/4885CYP1A2 495/4885

“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.