SCHEMBL714056

SCHEMBL714056

CC=CCC(NC(C)=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
THRB P10828 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
PTGS2 P35354 1/20 0.53
THPO P40225 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 2/20 0.52
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 0.42
CTSK P43235 2/20 0.40
GNPAT O15228 1/20 0.37
TGFBR1 P36897 1/20 0.36
FOLH1 Q04609 4/20 0.35
NAALAD2 Q9Y3Q0 3/20 0.35
RIMKLA Q8IXN7 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7421944 1.00 MAPT (0.53) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL4611563 1.00 MAPT (0.53) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL12064023 1.00 MAPT (0.53) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL12064024 1.00 MAPT (0.53) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL12064254 1.00 MAPT (0.53) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL9187897 0.82 MAPT (0.52) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL8377791 0.82 MAPT (0.52) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL12064275 0.81 CTSK (0.41) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL12064028 0.81 CTSK (0.41) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL713917 0.81 CTSK (0.41) MAPTKDM4ETHRBALOX15NFKB1

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 26 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
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-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
US-20130123463-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LIMITED (AU) 2013-05-16 US disclosed
EP-2576588-A1 METHODS FOR THE SYNTHESIS OF ALKYNE-CONTAINING DICARBA BRIDGES IN PEPTIDES Syngene Limited (AU) 2013-04-10 EP disclosed
US-8362204-B2 Methods for the synthesis of two or more dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2013-01-29 US disclosed
US-20130023645-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LIMITED (AU) 2013-01-24 US disclosed
US-20120142892-A1 CONTOXIN ANALOGUES AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE-CONTAINING PEPTIDES POLYCHIP PHARMACEUTICALS PTY LTD. (AU) 2012-06-07 US disclosed
US-20090143565-A1 Methods for the Synthesis of Two or More Dicarba Bridges in Organic Compounds SYNGENE LIMITED (AU) 2009-06-04 US disclosed
US-7538190-B2 Methods for the synthesis of two or more dicarba bridges in organic compounds POLYCHIP PHARMACEUTICALS PTY LTD (AU) 2009-05-26 US 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
EP-1984386-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS 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
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
US-20070197429-A1 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides SYNGENE LIMITED (AU) 2007-08-23 US 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

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

For each of this compound's patents that has machine-readable text (7 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-20090143565-A1 Methods for the Synthesis of Two or More Dicarba Bridges in Organic Compounds OTC, NBAS, IDH2 MAPT 1041/4885KDM4E 1778/4885THRB 4613/4885
US-20130023645-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS DCLRE1A, RNF168, CDCA2 MAPT 836/4885KDM4E 2452/4885THRB 4254/4885
US-20130123463-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS OTC, NBAS, IDH2 MAPT 1041/4885KDM4E 1778/4885THRB 4613/4885
US-20120142892-A1 CONTOXIN ANALOGUES AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE-CONTAINING PEPTIDES VIP, CANX, INHA MAPT 1990/4885KDM4E 4264/4885THRB 1436/4885
US-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS DCLRE1A, RNF168, MTCL3 MAPT 703/4885KDM4E 2401/4885THRB 4052/4885
US-20070197771-A1 Methods for the synthesis of two or more dicarba bridges in organic compounds OTC, NBAS, IDH2 MAPT 1041/4885KDM4E 1778/4885THRB 4613/4885
US-20070197429-A1 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides VIP, NRDC, INHA MAPT 2475/4885KDM4E 4016/4885THRB 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.