SCHEMBL713948

SCHEMBL713948

C=CCC(NC(C)=O)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS2 P35354 1/20 0.38
THPO P40225 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PLA2G2C Q5R387 1/20 0.34

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
SCHEMBL713068 1.00 KDM4E (0.38) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL8232821 1.00 KDM4E (0.38) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL15304762 0.87 MEN1 (0.37) ALDH1A1TAS1R3TAS1R1LMNAMEN1
SCHEMBL10538154 0.85 TAS1R3 (0.37) SMN1; SMN2ALDH1A1TAS1R3TAS1R1LMNA
SCHEMBL9978285 0.84 SMN1; SMN2 (0.41) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL8226854 0.84 SMN1; SMN2 (0.41) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9978367 0.84 SMN1; SMN2 (0.41) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL12064044 0.84 SMN1; SMN2 (0.41) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9892430 0.84 SMN1; SMN2 (0.41) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9978288 0.84 SMN1; SMN2 (0.41) KDM4EMAPTTHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LTD (AU) 2015-11-05 US disclosed
US-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LTD (AU) 2015-11-05 US disclosed
US-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LTD (AU) 2015-11-05 US disclosed
EP-1984384-B1 Conotoxin analogues, and methods for synthesis of intramolecular dicarba bridge containing peptides SYNGENE LTD (AU) 2015-10-21 EP disclosed
EP-1984384-B1 Conotoxin analogues, and methods for synthesis of intramolecular dicarba bridge containing peptides SYNGENE LTD (AU) 2015-10-21 EP disclosed
US-9102708-B2 Methods for the synthesis of dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2015-08-11 US disclosed
US-9102708-B2 Methods for the synthesis of dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2015-08-11 US disclosed
US-9102708-B2 Methods for the synthesis of dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2015-08-11 US disclosed
US-8759480-B2 Contoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides SYNGENE LIMITED (AU) 2014-06-24 US disclosed
EP-1984386-B1 Methods for the synthesis of two or more dicarba bridges in organic compounds SYNGENE LTD (AU) 2013-10-09 EP disclosed
EP-1984385-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2008-10-29 EP disclosed
EP-1984384-A1 CONOTOXIN ANALOGUES, AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE CONTAINING PEPTIDES Monash University (AU) 2008-10-29 EP disclosed
WO-2007093012-A1 CONOTOXIN ANALOGUES, AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE CONTAINING PEPTIDES MONASH UNIVERSITY (AU) 2007-08-23 WO disclosed
WO-2007093012-A1 CONOTOXIN ANALOGUES, AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE CONTAINING PEPTIDES MONASH UNIVERSITY (AU) 2007-08-23 WO disclosed
US-20070197771-A1 Methods for the synthesis of two or more dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2007-08-23 US disclosed
WO-2007093013-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2007-08-23 WO disclosed
WO-2007093013-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2007-08-23 WO disclosed
WO-2007093014-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2007-08-23 WO disclosed
WO-2007093014-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2007-08-23 WO disclosed
US-20070197429-A1 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides SYNGENE LIMITED (AU) 2007-08-23 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 (3 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-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS DCLRE1A, RNF168, MTCL3 KDM4E 2401/4885MAPT 703/4885THRB 4052/4885
US-20070197771-A1 Methods for the synthesis of two or more dicarba bridges in organic compounds OTC, NBAS, IDH2 KDM4E 1778/4885MAPT 1041/4885THRB 4613/4885
US-20070197429-A1 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides VIP, NRDC, INHA KDM4E 4016/4885MAPT 2475/4885THRB 1358/4885

“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.