SCHEMBL35554

SCHEMBL35554

NC(=NC1CCCCC1)N(C1CCCCC1)C1CCCNC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.38
SLC6A4 P31645 9/20 0.38
SLC6A3 Q01959 5/20 0.38
KCNH2 Q12809 2/20 0.38
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
NOS2 P35228 1/20 0.35
CYP2D6 P10635 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
APLNR P35414 2/20 0.32
PHGDH O43175 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
SCHEMBL34985 0.94 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL7758402 0.85 SIGMAR1 (0.37) SLC6A2SLC6A4SLC6A3KCNH2KDM4E
SCHEMBL3295732 0.85 SIGMAR1 (0.44) KDM4ESIGMAR1PHGDH
SCHEMBL3295724 0.85 SIGMAR1 (0.44) KDM4ESIGMAR1PHGDH
SCHEMBL3911153 0.83 SIGMAR1 (0.41) KDM4ESIGMAR1PHGDH
Bicarbonate SCHEMBL9555184 0.78 SIGMAR1 (0.39) KDM4EKMT2ASIGMAR1PHGDH
Bicarbonate SCHEMBL9555194 0.78 SIGMAR1 (0.39) KDM4EKMT2ASIGMAR1PHGDH
Trichloroacetic Acid SCHEMBL9636965 0.75 SIGMAR1 (0.34) KDM4ESIGMAR1PHGDH
Trichloroacetic Acid SCHEMBL9636957 0.75 SIGMAR1 (0.34) KDM4ESIGMAR1PHGDH
SCHEMBL21798770 0.71 CYP2D6 (0.52) SLC6A2SLC6A4SLC6A3KCNH2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102780-B2 Catalysts for reaction between an isocyanate and an alcohol BLUESTAR SILICONES FRANCE SAS (FR) 2015-08-11 US claimed
EP-2370488-B1 NOVEL CATALYSTS FOR REACTION BETWEEN AN ISOCYANATE AND AN ALCOHOL ELKEM SILICONES FRANCE SAS (FR) 2020-03-25 EP disclosed
US-9102780-B2 Catalysts for reaction between an isocyanate and an alcohol BLUESTAR SILICONES FRANCE SAS (FR) 2015-08-11 US disclosed
EP-2268743-B1 COMPOUNDS HAVING A GUANIDINE STRUCTURE AND USE OF SAME AS ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS BLUESTAR SILICONES FRANCE (FR) 2015-04-22 EP disclosed
EP-2291462-B1 ARTICLE HAVING ANTIFOULING PROPERTIES AND INTENDED TO BE EMPLOYED IN AQUATIC USES, IN PARTICULAR MARINE USES BLUESTAR SILICONES FRANCE (FR) 2014-08-13 EP disclosed
US-8729209-B2 Compounds having a guanidine structure and use of same as organopolysiloxane polycondensation catalysts BLUESTAR SILICONES FRANCE SAS (FR) 2014-05-20 US disclosed
EP-2440616-B1 METHOD FOR SEALING AND ASSEMBLING COMPONENTS OF A DRIVE TRAIN BLUESTAR SILICONES FRANCE (FR) 2013-07-31 EP disclosed
EP-2443207-B1 METHOD FOR COATING A TIN-FREE SILICON COMPOSITION ON A FLEXIBLE MEDIUM BLUESTAR SILICONES FRANCE (FR) 2013-07-31 EP disclosed
US-20130190469-A1 COMPOUNDS HAVING A GUANIDINE STRUCTURE AND USE OF SAME AS ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS BLUESTAR SILICONES FRANCE (FR) 2013-07-25 US disclosed
US-8475873-B2 Method for coating a tin-free silicon composition on a flexible medium BLUESTAR SILICONES FRANCE SAS (FR) 2013-07-02 US disclosed
US-8470950-B2 Method for sealing and assembling components of a drive train BLUESTAR SILICONES FRANCE SAS (FR) 2013-06-25 US disclosed
US-8470899-B2 Silicone composition which is cross-linkable by dehydrogenative condensation in the presence of a non-metal catalyst BLUESTAR SILICONES FRANCE SAS (FR) 2013-06-25 US disclosed
US-8420761-B2 Compounds having a guanidine structure and use of same as organopolysiloxane polycondensation catalysts BLUESTAR SILICONES FRANCE (FR) 2013-04-16 US disclosed
US-8415018-B2 Article having antisoiling properties and intended to be employed in aquatic uses, in particular marine uses BLUESTAR SILICONES FRANCE SAS (FR) 2013-04-09 US disclosed
US-20120181753-A1 METHOD FOR SEALING AND ASSEMBLING COMPONENTS OF A DRIVE TRAIN BLUESTAR SILICONES FRANCE (FR) 2012-07-19 US disclosed
US-20120172473-A1 SILICONE COMPOSITION WHICH IS CROSS-LINKABLE BY DEHYDROGENATIVE CONDENSATION IN THE PRESENCE OF A NON-METAL CATALYST BLUESTAR SILICONES FRANCE (FR) 2012-07-05 US disclosed
US-20120164336-A1 METHOD FOR COATING A TIN-FREE SILICON COMPOSITION ON A FLEXIBLE MEDIUM BLUESTAR SILICONES FRANCE (FR) 2012-06-28 US disclosed
US-20110287268-A1 ARTICLE HAVING ANTISOILING PROPERTIES AND INTENDED TO BE EMPLOYED IN AQUATIC USES, IN PARTICULAR MARINE USES BLUESTAR SILICONES FRANCE (FR) 2011-11-24 US disclosed
US-20110263743-A1 NOVEL CATALYSTS FOR REACTION BETWEEN AN ISOCYANATE AND AN ALCOHOL BLUESTAR SILICONES FRANCE (FR) 2011-10-27 US disclosed
US-20110098392-A1 COMPOUNDS HAVING A GUANIDINE STRUCTURE AND USE OF SAME AS ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS BLUESTAR SILICONES FRANCE (FR) 2011-04-28 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 (1 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-20110098392-A1 COMPOUNDS HAVING A GUANIDINE STRUCTURE AND USE OF SAME AS ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS GMNN, GLMN, IDUA SLC6A2 2468/4885SLC6A4 2600/4885SLC6A3 2900/4885

“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.