SCHEMBL3259677

SCHEMBL3259677

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP1A2 P05177 1/20 0.56
HRH1 P35367 1/20 0.56
CYP2C19 P33261 2/20 0.53
RECQL P46063 1/20 0.53
SLC22A16 Q86VW1 1/20 0.47
SLC25A20 O43772 3/20 0.46
TP53 P04637 2/20 0.46
CYP2D6 P10635 2/20 0.46
TSHR P16473 2/20 0.46
SLC6A5 Q9Y345 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL27329083 0.85 LMNA (0.53) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL28400448 0.82 MEN1 (0.58) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL28686910 0.79 SLC6A5 (0.49) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL17969447 0.79 MEN1 (0.64) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL10496268 0.79 MEN1 (0.64) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL17629809 0.78 MEN1 (0.71) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL1208087 0.78 MEN1 (0.71) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL4256715 0.78 MEN1 (0.71) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL288777 0.77 MEN1 (0.65) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL29405785 0.77 MEN1 (0.65) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62134092-A None JP disclosed
JP-62069996-A None JP disclosed
JP-62069996-A None JP disclosed
US-8741853-B2 Mitochondria-targeting antioxidant therapeutics STELIOU KOSTA (US) 2014-06-03 US disclosed
US-20100210569-A1 Mitochondria-targeting antioxidant therapeutics STELIOU KOSTA 2010-08-19 US disclosed
WO-2009038656-A1 MITOCHONDRIA-TARGETING ANTIOXIDANT THERAPEUTICS STELIOU KOSTA (US) 2009-03-26 WO disclosed
CN-1255375-C Industrial process for producing L-carnitine SIGMA TAU IND FARMACEUTI (IT) 2006-05-10 CN disclosed
EP-1131279-B1 INDUSTRIAL PROCESS FOR THE PRODUCTION OF L-CARNITINE SIGMA TAU IND FARMACEUTI (IT) 2004-05-12 EP disclosed
US-6566552-B2 Reduction of an alkyl 4-chloro-3 -oxobutyrate or -oxobutyr amide to 4-chloro-3 -hydroxybutyrate or -hydroxybutyramide in the presence of ruthenium complex reduction catalyst followed by quaternization with trimethylamine SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-05-20 US disclosed
US-20020165408-A1 Industrial process for the production of L-carnitine SIGMA-TAU INDUSTRIES FARMACEUTICHE RIUNITE S.P.A. (IT) 2002-11-07 US disclosed
CN-1326435-A Industrial process for production of L-carnitine SIGMA TAU IND FARMACEUTI (IT) 2001-12-12 CN disclosed
EP-1131279-A1 INDUSTRIAL PROCESS FOR THE PRODUCTION OF L-CARNITINE Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2001-09-12 EP disclosed
WO-2000029370-A1 INDUSTRIAL PROCESS FOR THE PRODUCTION OF L-CARNITINE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2000-05-25 WO disclosed
JP-S62134092-A PRODUCTION OF CARNITINE BIO-LE KK 1987-06-17 JP disclosed
JP-S6269996-A PRODUCTION OF CARNITINE ALKYL ESTER BIO-LE KK 1987-03-31 JP disclosed
JP-S6269996-A PRODUCTION OF CARNITINE ALKYL ESTER BIO-LE KK 1987-03-31 JP disclosed
US-4032641-A HYPOLIPIDEMIC AGENTS TANABE SEIYAKU CO., LTD. (JA) 1977-06-28 US disclosed
JP-S06269996-A 0001-01-01 JP disclosed
JP-S06269996-A 0001-01-01 JP 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 (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-20020165408-A1 Industrial process for the production of L-carnitine CRAT, CPT1B, CPT1A MEN1 4461/4885KMT2A 240/4885CYP1A2 1461/4885
US-20100210569-A1 Mitochondria-targeting antioxidant therapeutics SLC25A20, TXNRD2, TXN2 MEN1 3046/4885KMT2A 4740/4885CYP1A2 2223/4885

“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.