SCHEMBL11920847

SCHEMBL11920847

O=C1/C(=C2\Nc3cc(Br)ccc3C2=O)Nc2cc(Br)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.50
TGM2 P21980 2/20 0.50
S100A4 P26447 1/20 0.50
CMA1 P23946 1/20 0.44
AHR P35869 1/20 0.44
PTPRC P08575 1/20 0.44
BCL2 P10415 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
MCL1 Q07820 1/20 0.42
TDP2 O95551 1/20 0.42
METAP1 P53582 1/20 0.39
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
KDR P35968 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38

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
SCHEMBL8557 0.83 CES1 (0.71) CES1TGM2S100A4CMA1AHR
SCHEMBL28881913 0.83 TGM2 (0.71) CES1TGM2S100A4PTPRCBCL2
SCHEMBL11920848 0.83 TGM2 (0.71) CES1TGM2S100A4PTPRCBCL2
Nitrogen SCHEMBL29155979 0.80 CES1 (0.67) CES1TGM2S100A4TDP2MAOA
SCHEMBL22300036 0.79 MAOA (0.49) CES1TGM2PTPRCMAOAMAOB
SCHEMBL21479904 0.79 MAOA (0.49) CES1TGM2PTPRCMAOAMAOB
SCHEMBL19931150 0.78 TGM2 (0.59) CES1TGM2S100A4CMA1AHR
SCHEMBL15762686 0.78 CES1 (0.46) CES1TGM2S100A4MCL1MAOA
SCHEMBL9392587 0.76 CMA1 (0.59) CES1TGM2S100A4CMA1AHR
SCHEMBL22300559 0.75 MEN1 (0.45) CES1TGM2PTPRCCA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743479-B1 LUBRICANT FOR WINTER SPORTS EQUIPMENT BASED ON INDIGOID MOLECULES BUETZER MARCEL (CH) 2022-10-26 EP disclosed
WO-2021062491-A1 CIBALACKROT RED DYE COMPOUNDS AND METHODS OF USE IN ORGANIC SOLID-STATE LASERS AND OPTO-ELECTRONIC APPLICATIONS THE UNIVERSITY OF QUEENSLAND (AU) 2021-04-08 WO disclosed
WO-2020015839-A1 PROCESS AND APPARATUS FOR DYEING TEXTILES SANKO TEKSTIL ISLETMELERI SAN. VE TIC. A.S. (TR) 2020-01-23 WO disclosed
US-10208186-B2 Latex comprising colorant and methods of making the same XEROX CORPORATION (US) 2019-02-19 US disclosed
US-20170226280-A1 ORGANIC SEMICONDUCTOR ELEMENT, MANUFACTURING METHOD THEREOF, COMPOUND, COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, AND ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2017-08-10 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-9090758-B2 Phase change ink comprising modified naturally-derived colorants XEROX CORPORATION (US) 2015-07-28 US disclosed
US-20150030977-A1 LATEX COMPRISING COLORANT AND METHODS OF MAKING THE SAME XEROX CORPORATION (US) 2015-01-29 US disclosed
US-20140155625-A1 Modified Naturally-Derived Colorants For Phase Change Ink Applications XEROX CORPORATION (US) 2014-06-05 US disclosed
US-20140152748-A1 Phase Change Ink Comprising Modified Naturally-Derived Colorants XEROX CORPORATION (US) 2014-06-05 US 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-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
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
CN-101868506-A Colorants based N-halamines compositions and method of making and using UNIV TEXAS 2010-10-20 CN 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-20140155625-A1 Modified Naturally-Derived Colorants For Phase Change Ink Applications RB1, KAT2A, KAT5 CES1 4546/4885TGM2 3261/4885S100A4 139/4885
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 CES1 2796/4885TGM2 2926/4885S100A4 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.