SCHEMBL4447508

SCHEMBL4447508

CCCCCN(CCCCC)c1ccc(N(c2ccc(N(CCCCC)CCCCC)cc2)c2ccc(N(CCCCC)CCCCC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
CNR2 P34972 7/20 0.41
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
DNM1 Q05193 3/20 0.39
PSMD14 O00487 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
GFER P55789 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37

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
SCHEMBL4222294 1.00 EGFR (0.42) EGFRERBB2CNR2CHRM2CHRM4
SCHEMBL12304298 0.98 CNR2 (0.44) EGFRERBB2CNR2DNM1
SCHEMBL12304295 0.98 CNR2 (0.44) EGFRERBB2CNR2DNM1
SCHEMBL12304297 0.98 CNR2 (0.44) EGFRERBB2CNR2DNM1
SCHEMBL12304296 0.98 CNR2 (0.44) EGFRERBB2CNR2DNM1
SCHEMBL12304303 0.98 CNR2 (0.44) EGFRERBB2CNR2DNM1
SCHEMBL1459455 0.95 EGFR (0.44) EGFRERBB2CNR2CHRM2CHRM4
SCHEMBL1815516 0.93 CNR2 (0.46) EGFRERBB2CNR2DNM1
SCHEMBL12677177 0.93 CNR2 (0.46) EGFRERBB2CNR2DNM1
SCHEMBL17663681 0.93 EGFR (0.47) EGFRERBB2CNR2CHRM2CHRM4

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
EP-1696709-B1 ORGANO-ELECTRONIC FUNCTIONAL MATERIAL AND USE THEREOF NIPPON STEEL CHEMICAL CO (JP) 2012-10-24 EP claimed
US-7629059-B2 Organo-electronic functional material and use thereof BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2009-12-08 US claimed
US-20090066222-A1 Organic electronic functional material and use thereof BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2009-03-12 US claimed
US-7442760-B2 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-10-28 US claimed
US-7282275-B2 Materials for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-16 US claimed
US-7271406-B2 Electron transport agents for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-18 US claimed
EP-1826837-A1 ORGANIC ELECTRONIC FUNCTIONAL MATERIAL AND USE THEREOF Bando Chemical Industries, Ltd. (JP) 2007-08-29 EP claimed
US-20070066848-A1 Organo-electronic functional material and use thereof BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-22 US claimed
EP-1696709-A1 ORGANO-ELECTRONIC FUNCTIONAL MATERIAL AND USE THEREOF Bando Chemical Industries, Ltd. (JP) 2006-08-30 EP claimed
US-20060155106-A1 ELECTROACTIVE POLYMERS 3M INNOVATIVE PROPERTIES COMPANY 2006-07-13 US claimed
EP-1618169-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M Innovative Properties Company (US) 2006-01-25 EP claimed
EP-1573789-A2 ELECTROACTIVE POLYMERS 3M Innovative Properties Company (US) 2005-09-14 EP claimed
WO-2004102615-A2 ELECTROACTIVE POLYMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-25 WO claimed
WO-2004096948-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-11 WO claimed
US-20040214036-A1 Electron transport agents for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY 2004-10-28 US claimed
US-20040062930-A1 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY 2004-04-01 US claimed
US-20030219625-A1 Materials for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY 2003-11-27 US claimed
EP-1696709-B1 ORGANO-ELECTRONIC FUNCTIONAL MATERIAL AND USE THEREOF NIPPON STEEL CHEMICAL CO (JP) 2012-10-24 EP disclosed
WO-2003090502-A2 MATERIALS FOR ORGANIC ELECTRONIC DEVICES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-10-30 WO disclosed
US-5932363-A LUMINESCENT COMPOSITION COMPRISED OF MIXTURE OF FLUORESCENT DYE AND SPECIFIED METAL CHELATE COMPOUND XEROX CORPORATION (US) 1999-08-03 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-20070066848-A1 Organo-electronic functional material and use thereof SLCO2A1, SLCO2B1, KCNN2 EGFR 604/4885ERBB2 1815/4885CNR2 3641/4885
US-20090066222-A1 Organic electronic functional material and use thereof EFNA1, EPB41, ETFB EGFR 1142/4885ERBB2 1610/4885CNR2 3182/4885

“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.