SCHEMBL712813

SCHEMBL712813

Brc1cccnc1.Brc1cccnc1.Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=[Ru](Cl)(Cl)=Cc2ccccc2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL29659309 1.00 ALDH1A1 (0.33) ALDH1A1LMNASMN1; SMN2KDM4EALOX5
SCHEMBL1942951 0.85 BACE1 (0.32)
SCHEMBL4230065 0.80 KMT2A (0.31)
Hydrochloric Acid SCHEMBL1194185 0.80 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2KDM4EALOX5
SCHEMBL4650164 0.79 BACE1 (0.31)
SCHEMBL16267007 0.78
SCHEMBL17267904 0.75 ALDH1A1 (0.33) ALDH1A1LMNASMN1; SMN2KDM4ECYP11B1
SCHEMBL1535723 0.75 BACE1 (0.31)
SCHEMBL17685647 0.75 C5AR1 (0.30)
SCHEMBL16699727 0.74 BACE1 (0.30)

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-9605088-B2 Catalyst compositions and their use for hydrogenation of nitrile rubber ARLANXEO DEUTSCHLAND GMBH (DE) 2017-03-28 US disclosed
US-9598506-B2 Catalyst compositions and their use for hydrogenation of nitrile rubber ARLANXEO DEUTSCHLAND GMBH (DE) 2017-03-21 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
US-9102708-B2 Methods for the synthesis of dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2015-08-11 US disclosed
US-20150166686-A1 CATALYST COMPOSITIONS AND THEIR USE FOR HYDROGENATION OF NITRILE RUBBER ARLANXEO DEUTSCHLAND GMBH (DE) 2015-06-18 US disclosed
US-20150126683-A1 CATALYST COMPOSITIONS AND THEIR USE FOR HYDROGENATION OF NITRILE RUBBER LANXESS DEUTSCHLAND GMBH (DE) 2015-05-07 US disclosed
US-20150025199-A1 CATALYST COMPOSITIONS AND THEIR USE FOR HYDROGENATION OF NITRILE RUBBER ARLANXEO DEUTSCHLAND GMBH (DE) 2015-01-22 US disclosed
US-20140249277-A1 CATALYST COMPOSITIONS AND THEIR USE FOR HYDROGENATION OF NITRILE RUBBER ARLANXEO DEUTSCHLAND GMBH (DE) 2014-09-04 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
US-7745573-B2 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides POLYCHIP PHARMACEUTICALS PTY LTD. (AU) 2010-06-29 US disclosed
US-20100036089-A1 Methods for the Synthesis of Dicarba Bridges in Organic Compounds MONASH UNIVERSITY (AU) 2010-02-11 US disclosed
US-20100022749-A1 Contoxin Analogues and Methods for Synthesizing Same MONASH UNIVERSITY (AU) 2010-01-28 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
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

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

For each of this compound's patents that has machine-readable text (5 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-20100022749-A1 Contoxin Analogues and Methods for Synthesizing Same VIP, CANX, PDIA5 ALDH1A1 4713/4885LMNA 416/4885SMN1; SMN2 1580/4885
US-20100036089-A1 Methods for the Synthesis of Dicarba Bridges in Organic Compounds DCLRE1A, RNF168, MTCL3 ALDH1A1 2484/4885LMNA 538/4885SMN1; SMN2 3897/4885
US-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS DCLRE1A, RNF168, MTCL3 ALDH1A1 2484/4885LMNA 538/4885SMN1; SMN2 3897/4885
US-20070197771-A1 Methods for the synthesis of two or more dicarba bridges in organic compounds OTC, NBAS, IDH2 ALDH1A1 838/4885LMNA 880/4885SMN1; SMN2 2868/4885
US-20070197429-A1 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides VIP, NRDC, INHA ALDH1A1 4753/4885LMNA 529/4885SMN1; SMN2 2903/4885

“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.