SCHEMBL11920848

SCHEMBL11920848

O=C1/C(=C2\Nc3ccc(Br)cc3C2=O)Nc2ccc(Br)cc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.71
CES1 P23141 3/20 0.71
S100A4 P26447 1/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LRRK2 Q5S007 3/20 0.44
AGTR1 P30556 1/20 0.44
PTPRC P08575 1/20 0.44
BCL2 P10415 1/20 0.42
MCL1 Q07820 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CCNB2 O95067 2/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL28881913 1.00 TGM2 (0.71) TGM2CES1S100A4KMT2AMEN1
SCHEMBL15165815 0.86 TGM2 (0.69) TGM2CES1S100A4KMT2AMEN1
SCHEMBL29505404 0.83 TGM2 (1.00) TGM2CES1S100A4LRRK2AGTR1
SCHEMBL136581 0.83 TGM2 (1.00) TGM2CES1S100A4LRRK2AGTR1
SCHEMBL11920847 0.83 CES1 (0.50) TGM2CES1S100A4PTPRCBCL2
Water SCHEMBL8100148 0.82 TGM2 (0.96) TGM2CES1LRRK2AGTR1CA1
Methane SCHEMBL28522344 0.82 TGM2 (0.96) TGM2CES1LRRK2AGTR1CA1
SCHEMBL23752448 0.81 TGM2 (0.61) TGM2CES1LRRK2AGTR1PTPRC
SCHEMBL3848773 0.81 TGM2 (0.61) TGM2CES1LRRK2AGTR1PTPRC
SCHEMBL29194204 0.80 TGM2 (0.67) TGM2CES1S100A4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208186-B2 Latex comprising colorant and methods of making the same XEROX CORPORATION (US) 2019-02-19 US disclosed
US-20170073499-A1 LATEX COMPRISING COLORANT AND METHODS OF MAKING THE SAME U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2017-03-16 US disclosed
US-9580578-B2 Latex comprising colorant and methods of making the same XEROX CORPORATION (US) 2017-02-28 US disclosed
US-20160024276-A1 LATEX COMPRISING COLORANT AND METHODS OF MAKING THE SAME U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2016-01-28 US disclosed
US-9213248-B2 Latex comprising colorant and methods of making the same XEROX CORPORATION (US) 2015-12-15 US disclosed
US-20150125888-A1 ONE STEP ENZYMATIC PROCESS FOR PRODUCING ALKYL FURANOSIDES ECOLE NATIONALE SUPERIEURE DE CHIMIE DE RENNES (ENSCR) (FR) 2015-05-07 US disclosed
US-20150030977-A1 LATEX COMPRISING COLORANT AND METHODS OF MAKING THE SAME XEROX CORPORATION (US) 2015-01-29 US disclosed
WO-2013160205-A1 ONE STEP ENZYMATIC PROCESS FOR PRODUCING ALKYL FURANOSIDES ÉCOLE NATIONALE SUPÉRIEURE DE CHIMIE DE RENNES (ENSCR) (FR) 2013-10-31 WO disclosed
US-8551188-B2 Composition comprising a hydrophobic dye, a particular organic and/or mineral alkaline agent, a particular compound (I) and a particular organic compound (II), and dyeing use thereof L'OREAL (FR) 2013-10-08 US disclosed
US-20120204357-A1 COMPOSITION COMPRISING A HYDROPHOBIC DYE, A PARTICULAR ORGANIC AND/OR MINERAL ALKALINE AGENT, A PARTICULAR COMPOUND (I) AND A PARTICULAR ORGANIC COMPOUND (II), AND DYEING USE THEREOF L'OREAL (FR) 2012-08-16 US disclosed
WO-2011027076-A2 DYEING METHOD CONSISTING IN APPLYING A METALLIC SALT AND A COMPOSITION CONTAINING A HYDROPHOBIC DYE AND A SPECIFIC COMPOUND L'OREAL (FR) 2011-03-10 WO disclosed
WO-2011027077-A2 COMPOSITION COMPRISING A HYDROPHOBIC DYE, A SPECIFIC MINERAL AND/OR ORGANIC ALKALINE AGENT, A SPECIFIC COMPOUND (I) AND A SPECIFIC ORGANIC COMPOUND (II), AND USE THEREOF IN DYEING L'OREAL (FR) 2011-03-10 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-20120204357-A1 COMPOSITION COMPRISING A HYDROPHOBIC DYE, A PARTICULAR ORGANIC AND/OR MINERAL ALKALINE AGENT, A PARTICULAR COMPOUND (I) AND A PARTICULAR ORGANIC COMPOUND (II), AND DYEING USE THEREOF KRT18, DSG1, DSC1 TGM2 2926/4885CES1 2796/4885S100A4 24/4885

“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.