SCHEMBL2128011

SCHEMBL2128011

CCCCCCN(C)C(=O)/C=C\C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.43
ZDHHC20 Q5W0Z9 2/20 0.42
DNM1 Q05193 3/20 0.39
MEN1 O00255 1/20 0.38
FAAH O00519 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SOAT1 P35610 1/20 0.38
KMT2A Q03164 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.37
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 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
SCHEMBL5361152 0.91 EPHX2 (0.49) EPHX2ZDHHC20DNM1ZDHHC2S1PR2
SCHEMBL5361154 0.84 ZDHHC20 (0.58) EPHX2ZDHHC20CYP1A2
SCHEMBL7564032 0.84 ZDHHC20 (0.54) ZDHHC20MEN1FAAHTP53CYP1A2
SCHEMBL30764048 0.84 ZDHHC20 (0.58) EPHX2ZDHHC20CYP1A2
SCHEMBL5361151 0.84 ZDHHC20 (0.58) EPHX2ZDHHC20CYP1A2
SCHEMBL7562451 0.84 ZDHHC20 (0.54) ZDHHC20MEN1FAAHTP53CYP1A2
SCHEMBL7565954 0.84 ZDHHC20 (0.54) ZDHHC20MEN1FAAHTP53CYP1A2
SCHEMBL7565455 0.84 ZDHHC20 (0.54) ZDHHC20MEN1FAAHTP53CYP1A2
SCHEMBL30764039 0.84 ZDHHC20 (0.58) EPHX2ZDHHC20CYP1A2
SCHEMBL30764054 0.84 ZDHHC20 (0.58) EPHX2ZDHHC20CYP1A2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829116-B2 Method for producing block copolymers DOW GLOBAL TECHNOLOGIES LLC (US) 2014-09-09 US disclosed
US-8486428-B2 Compositions and methods for making and using acyclic N-halamine-based biocidal polymeric materials and articles BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-07-16 US disclosed
EP-2444426-B1 Method for producing block copolymers ROHM & HAAS (US) 2013-05-01 EP disclosed
US-20120101218-A1 METHOD FOR PRODUCING BLOCK COPOLYMERS DOW GLOBAL TECHNOLOGIES LLC 2012-04-26 US disclosed
EP-2444426-A1 Method for producing block copolymers Rohm and Haas Company (US) 2012-04-25 EP disclosed
WO-2007126775-A2 COMPOSITIONS AND METHODS FOR MAKING AND USING ACYCLIC N-HALAMINE-BASED BIOCIDAL POLYMERIC MATERIALS AND ARTICLES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-08 WO disclosed
US-20070224161-A1 Compositions and methods for making and using acyclic N-halamine-based biocidal polymeric materials and articles BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-09-27 US disclosed
US-7008990-B2 Use of polymeric reaction product BASF AKTIENGESELLSCHAFT (DE) 2006-03-07 US disclosed
US-6902810-B1 Mesomorphic polyelectrolyte complexes prepared by reacting, in a liquid pahse a polymeric and oligomeric, anionic polyelectrolyte with a polymeric oligomeric, organic cationic polyelectrolyte and cationic surfactant BASF COATINGS AG (DE) 2005-06-07 US disclosed
US-6815498-B2 BLOCK POLYMERS BASF AKTIENGESELLSCHAFT (DE) 2004-11-09 US disclosed
US-6790909-B2 INITIATOR FUNCTIONS SUITABLE FOR CATIONIC POLYMERIZATION INTO THE MACROINITIATOR. EXAMPLES OF SUCH INTERESTING INITIATOR FUNCTIONS ARE GROUPS CONTAINING HALOGEN OR SULFONYL CHLORIDE BASF AKTIENGESELLSCHAFT (DE) 2004-09-14 US disclosed
US-6716905-B1 AQUEOUS DISPERSION OF A STILBENE DERIVATIVE POLYMER MADE USING A FREE RADICAL CATALYST COATINGS AG (DE) 2004-04-06 US disclosed
US-6710024-B2 Washing active preparation BASF AKTIENGESELLSCHAFT (DE) 2004-03-23 US disclosed
US-20040034182-A1 Method for the production of a polymerisation reaction product BASF AKTIENGESELLSCHAFT (DE) 2004-02-19 US disclosed
US-20040024145-A1 Graft copolymers, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 2004-02-05 US disclosed
US-20040014872-A1 Bonding agent composition containing solid matter, with radically polymerised block copolymers BASF AKTIENGESELLSCHAFT (DE) 2004-01-22 US disclosed
US-20030170306-A1 Use of polymeric reaction product BASF AKTIENGESELLSCHAFT (DE) 2003-09-11 US disclosed
US-20030109414-A1 Washing active preparation BASF AKTIENGESELLSCHAFT (DE) 2003-06-12 US disclosed
US-20030018137-A1 Method for producing a polymeric conversion product BASF AKTIENGESELLSCHAFT (DE) 2003-01-23 US disclosed
US-6506836-B1 Reacting under free-radical conditions a reaction mixture comprising at least one free-radically reactable monomer (a) in the presence of at least one free-radical initiator and of a compound process for preparing a polymer using said reaction BASF AKTIENGESELLSCHAFT (DE) 2003-01-14 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 (2 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-20070224161-A1 Compositions and methods for making and using acyclic N-halamine-based biocidal polymeric materials and articles NAAA, NIT2, AADAC EPHX2 556/4885ZDHHC20 308/4885DNM1 1890/4885
US-20030170306-A1 Use of polymeric reaction product OXSR1, OGFR, CBR1 EPHX2 2516/4885ZDHHC20 3928/4885DNM1 4604/4885

“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.