SCHEMBL45893

SCHEMBL45893

CCCCN=C(NC1CCCCC1)NC1CCCCC1

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.87
EPHX1 P07099 10/20 0.47
EPHX2 P34913 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL9543409 0.93 SIGMAR1 (1.00) SIGMAR1EPHX1EPHX2MEN1KMT2A
SCHEMBL2740860 0.93 SIGMAR1 (1.00) SIGMAR1EPHX1EPHX2MEN1KMT2A
SCHEMBL7654570 0.93 SIGMAR1 (1.00) SIGMAR1EPHX1EPHX2MEN1KMT2A
SCHEMBL19447867 0.93 SIGMAR1 (1.00) SIGMAR1EPHX1EPHX2MEN1KMT2A
SCHEMBL14373127 0.89 SIGMAR1 (0.74) SIGMAR1EPHX1EPHX2KDM4EALDH1A1
SCHEMBL13684655 0.85 SIGMAR1 (0.64) SIGMAR1EPHX1EPHX2MEN1KMT2A
SCHEMBL14208769 0.85 SIGMAR1 (0.64) SIGMAR1EPHX1EPHX2MEN1KMT2A
Hydrochloric Acid SCHEMBL13684841 0.83 SIGMAR1 (0.65) SIGMAR1EPHX1EPHX2MEN1KMT2A
SCHEMBL11791735 0.81 SIGMAR1 (0.59) SIGMAR1EPHX1EPHX2MEN1KMT2A
SCHEMBL12859552 0.80 SIGMAR1 (0.62) SIGMAR1EPHX1EPHX2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022129359-A1 SILICONE-BASED THERMOPLASTIC MATERIALS FOR 3D-PRINTING SETUP Performance SAS (FR) 2022-06-23 WO disclosed
EP-2370488-B1 NOVEL CATALYSTS FOR REACTION BETWEEN AN ISOCYANATE AND AN ALCOHOL ELKEM SILICONES FRANCE SAS (FR) 2020-03-25 EP disclosed
EP-2756211-B1 METHOD AND COMPOSITION FOR SEALING AND ASSEMBLING COMPONENTS OF A POWER TRAIN ELKEM SILICONES FRANCE SAS (FR) 2019-04-24 EP disclosed
US-9732261-B2 Method and composition for sealing and assembling components of a power train BLUESTAR SILICONES FRANCE SAS (FR) 2017-08-15 US disclosed
EP-2935407-B1 METHOD AND COMPOSITIONS THAT CAN BE USED FOR SEALING AND ASSEMBLING COMPONENTS OF A POWERTRAIN BLUESTAR SILICONES FRANCE (FR) 2016-10-26 EP disclosed
US-9469783-B2 Method and compositions that can be used for sealing and assembling components of a powertrain BLUESTAR SILICONES FRANCE SAS (FR) 2016-10-18 US disclosed
EP-2556116-B1 METHOD AND COMPOSITIONS FOR THE SEALING AND ASSEMBLY OF POWER TRAIN COMPONENTS BLUESTAR SILICONES FRANCE (FR) 2016-08-17 EP disclosed
US-20150307743-A1 METHOD AND COMPOSITIONS THAT CAN BE USED FOR SEALING AND ASSEMBLING COMPONENTS OF A POWERTRAIN BLUESTAR SILICONES FRANCE SAS (FR) 2015-10-29 US disclosed
US-9102780-B2 Catalysts for reaction between an isocyanate and an alcohol BLUESTAR SILICONES FRANCE SAS (FR) 2015-08-11 US disclosed
US-20150129127-A1 METHOD AND COMPOSITION FOR SEALING AND ASSEMBLING COMPONENTS OF A POWER TRAIN BLUESTAR SILICONES FRANCE SAS (FR) 2015-05-14 US disclosed
US-20110263743-A1 NOVEL CATALYSTS FOR REACTION BETWEEN AN ISOCYANATE AND AN ALCOHOL BLUESTAR SILICONES FRANCE (FR) 2011-10-27 US disclosed
WO-2011114021-A1 METHOD AND COMPOSITIONS FOR THE SEALING AND ASSEMBLY OF POWER TRAIN COMPONENTS BLUESTAR SILICONES FRANCE (FR) 2011-09-22 WO 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
WO-2010146252-A2 COMPOSITION FOR WATERPROOFING AND IMPROVING THE BEADING EFFECT OF CONSTRUCTION MATERIALS BLUESTAR SILICONES FRANCE (FR) 2010-12-23 WO disclosed
WO-2010146249-A1 METHOD FOR COATING A TIN-FREE SILICON COMPOSITION ON A FLEXIBLE MEDIUM BLUESTAR SILICONES FRANCE (FR) 2010-12-23 WO disclosed
WO-2010146254-A1 SILICONE COMPOSITION WHICH IS CROSS-LINKABLE BY DEHYDROGENATIVE CONDENSATION IN THE PRESENCE OF A NON-METAL CATALYST BLUESTAR SILICONES FRANCE (FR) 2010-12-23 WO disclosed
WO-2010142871-A1 METHOD FOR SEALING AND ASSEMBLING COMPONENTS OF A DRIVE TRAIN BLUESTAR SILICONES FRANCE (FR) 2010-12-16 WO disclosed
WO-2010043353-A1 NOVEL CATALYSTS FOR REACTION BETWEEN AN ISOCYANATE AND AN ALCOHOL BLUESTAR SILICONES FRANCE (FR) 2010-04-22 WO disclosed
WO-2009133084-A1 ARTICLE HAVING ANTISOILING PROPERTIES AND INTENDED TO BE EMPLOYED IN AQUATIC USES, IN PARTICULAR MARINE USES BLUESTAR SILICONES FRANCE (FR) 2009-11-05 WO disclosed
WO-2009118307-A2 COMPOUNDS HAVING A GUANIDINE STRUCTURE AND USE OF SAME AS ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS BLUESTAR SILICONES FRANCE (FR) 2009-10-01 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 (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 SIGMAR1 1235/4885EPHX1 1945/4885EPHX2 2092/4885

“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.