SCHEMBL4256715

SCHEMBL4256715

C[N+](C)(C)CC(CC(=O)[O-])O[C@H](CC(=O)[O-])C[N+](C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
CYP1A2 P05177 1/20 0.71
HRH1 P35367 1/20 0.71
CYP2C19 P33261 2/20 0.67
RECQL P46063 1/20 0.67
SLC22A16 Q86VW1 1/20 0.61
CPT2 P23786 2/20 0.57
CPT1A P50416 2/20 0.57
SLC25A20 O43772 3/20 0.56
TP53 P04637 2/20 0.56
CYP2D6 P10635 2/20 0.56
TSHR P16473 2/20 0.56
SLC6A5 Q9Y345 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
NFKB1 P19838 1/20 0.56
THPO P40225 1/20 0.56

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
SCHEMBL1208087 1.00 MEN1 (0.71) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL17629809 1.00 MEN1 (0.71) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL8767045 0.92 MEN1 (0.62) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL26797580 0.92 MEN1 (0.62) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL26797583 0.92 MEN1 (0.62) MEN1KMT2ACYP1A2HRH1CYP2C19
Cadaverine Tartrate SCHEMBL7526527 0.89 MEN1 (0.59) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL1830071 0.87 MEN1 (0.57) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL28171779 0.87 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL7031982 0.87 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL2994007 0.85 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149540-A1 Compositions and Methods for Attenuating Mitochondria-Mediated Cell Injury UNIVERSITY OF ROCHESTER 2009-06-11 US disclosed
EP-1965650-A2 COMPOSITIONS AND METHODS FOR ATTENUATING MITOCHONDRIA-MEDIATED CELL INJURY University of Rochester (US) 2008-09-10 EP disclosed
WO-2007076322-A2 COMPOSITIONS AND METHODS FOR ATTENUATING MITOCHONDRIA-MEDIATED CELL INJURY UNIVERSITY OF ROCHESTER (US) 2007-07-05 WO disclosed
US-20060122267-A1 Compositions and methods for attenuating mitochondria-mediated cell injury NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-06-08 US 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-20090149540-A1 Compositions and Methods for Attenuating Mitochondria-Mediated Cell Injury SHMT2, TXN2, TXNRD2 MEN1 4835/4885KMT2A 4350/4885CYP1A2 1061/4885
US-20060122267-A1 Compositions and methods for attenuating mitochondria-mediated cell injury SHMT2, TXN2, TXNRD2 MEN1 4851/4885KMT2A 4391/4885CYP1A2 1084/4885

“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.