SCHEMBL890757

SCHEMBL890757

Cc1ccc(Br)cc1-c1cc(Br)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.46
AGPAT2 O15120 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
PTPRC P08575 1/20 0.39
CYP2A6 P11509 2/20 0.39
BCL2 P10415 1/20 0.38
MCL1 Q07820 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
BIRC5 O15392 1/20 0.38
TGM2 P21980 1/20 0.37
CES1 P23141 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
ALOX15 P16050 2/20 0.36
AHR P35869 1/20 0.36

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
SCHEMBL20285246 0.90 ALDH1A1 (0.48) S100A4AGPAT2ALDH1A1LMNAMAPK1
SCHEMBL13069277 0.88 PTPRC (0.47) S100A4AGPAT2ALDH1A1LMNAMAPK1
SCHEMBL14873562 0.87 S100A4 (0.41) S100A4AGPAT2ALDH1A1MAPK1PTPRC
SCHEMBL15840157 0.86 AGPAT2 (0.37) S100A4AGPAT2ALDH1A1LMNAMAPK1
SCHEMBL26347192 0.86 ALOX15 (0.48) ALDH1A1LMNAMAPK1BCL2MCL1
SCHEMBL277458 0.82 BIRC5 (0.43) S100A4AGPAT2ALDH1A1MAPK1PTPRC
SCHEMBL16453890 0.82 BIRC5 (0.43) S100A4AGPAT2ALDH1A1MAPK1PTPRC
SCHEMBL6326863 0.81 ESR2 (0.48) ALDH1A1LMNAMAPK1PTPRCCYP2A6
SCHEMBL22820090 0.81 PTGS2 (0.39) S100A4AGPAT2ALDH1A1MCL1BIRC5
SCHEMBL12707406 0.81 TDO2 (0.42) AGPAT2CYP2A6IDO1

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
EP-3250035-B1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS INC (TW) 2023-01-25 EP disclosed
US-11038124-B2 Organic compound and organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2021-06-15 US disclosed
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-24 US disclosed
US-RE45850-E1 Composition of organic compounds, optical film and method of production thereof CRYSOPTIX K.K. (JP) 2016-01-19 US disclosed
EP-2638126-B1 NEGATIVE DISPERSION RETARDATION PLATE AND ACHROMATIC CIRCULAR POLARIZER CRYSOPTIX KK (JP) 2015-02-18 EP disclosed
US-8895118-B2 Negative dispersion retardation plate and achromatic circular polarizer CRYSOPTIX K.K. (JP) 2014-11-25 US disclosed
US-20140334002-A1 PATTERNED RETARDER CRYSOPTIX KK (JP) 2014-11-13 US disclosed
EP-2630523-A1 RETARDER AND LIQUID CRYSTAL DISPLAY COMPRISING THE SAME CRYSOPTIX K.K. (JP) 2013-08-28 EP disclosed
US-8512824-B2 Composition of organic compounds, optical film and method of production thereof CRYSOPTIX KK (JP) 2013-08-20 US disclosed
EP-2622392-A1 PATTERNED RETARDER CRYSOPTIX K.K. (JP) 2013-08-07 EP disclosed
US-20130003178-A1 THREE-DIMENSIONAL CIRCULAR POLARIZATION EYEGLASSES CRYSOPTIX KK (JP) 2013-01-03 US disclosed
WO-2013003780-A1 THREE-DIMENSIONAL CIRCULAR POLARIZATION EYEGLASSES CRYSOPTIX KK (JP) 2013-01-03 WO disclosed
US-20120113380-A1 NEGATIVE DISPERSION RETARDATION PLATE AND ACHROMATIC CIRCULAR POLARIZER CRYSOPTIX KK (JP) 2012-05-10 US disclosed
US-20120099052-A1 RETARDER AND LIQUID CRYSTAL DISPLAY COMPRISING THE SAME CRYSOPTIX KK (JP) 2012-04-26 US disclosed
WO-2012052950-A1 RETARDER AND LIQUID CRYSTAL DISPLAY COMPRISING THE SAME CRYSOPTIX KK (JP) 2012-04-26 WO disclosed
WO-2012044867-A1 PATTERNED RETARDER CRYSOPTIX KK (JP) 2012-04-05 WO disclosed
US-20120081784-A1 PATTERNED RETARDER CRYSOPTIX KK (JP) 2012-04-05 US disclosed
EP-2331655-A2 COMPOSITION OF ORGANIC COMPOUNDS, OPTICAL FILM AND METHOD OF PRODUCTION THEREOF CRYSOPTIX K.K. (JP) 2011-06-15 EP disclosed
US-20100085521-A1 Composition of Organic Compounds, Optical Film and Method of Production Thereof CRYSOPTIX KK (JP) 2010-04-08 US disclosed
WO-2010020928-A2 COMPOSITION OF ORGANIC COMPOUNDS, OPTICAL FILM AND METHOD OF PRODUCTION THEREOF CRYSOPTIX KK (JP) 2010-02-25 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 (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-11038124-B2 Organic compound and organic electroluminescence device using the same TRPA1, TRPC6, TRPM4 S100A4 3020/4885AGPAT2 2920/4885ALDH1A1 453/4885
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS CYBA, DDT, DRD1 S100A4 2174/4885AGPAT2 2894/4885ALDH1A1 19/4885

“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.