SCHEMBL4447087

SCHEMBL4447087

CCCCCN(CCCCC)c1ccc(-c2cc(-c3ccc(N(CCCCC)CCCCC)cc3)cc(-c3ccc(N(CCCCC)CCCCC)cc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 3/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
CNR2 P34972 3/20 0.38
PTGES O14684 2/20 0.37
ALOX5 P09917 2/20 0.37
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
AR P10275 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL1128066 0.94 BDKRB2 (0.42) BDKRB2EGFRERBB2CNR2PTGES
SCHEMBL3054212 0.87 EGFR (0.46) EGFRERBB2CNR2ALOX5AR
SCHEMBL1459455 0.87 EGFR (0.44) EGFRERBB2CNR2ALDH1A1
SCHEMBL12677177 0.85 CNR2 (0.46) EGFRERBB2CNR2
SCHEMBL1815516 0.85 CNR2 (0.46) EGFRERBB2CNR2
SCHEMBL2790604 0.85 ALDH1A1 (0.53) BDKRB2EGFRERBB2CNR2KDM4E
SCHEMBL23310391 0.84 CNR2 (0.36) EGFRERBB2CNR2PTGESALOX5
SCHEMBL7121739 0.83 ALDH1A1 (0.52) CNR2PTGESALOX5KDM4EALDH1A1
SCHEMBL25397302 0.83 TDP1 (0.40) BDKRB2EGFRERBB2CNR2PTGES
SCHEMBL4447508 0.83 EGFR (0.42) EGFRERBB2CNR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090066222-A1 Organic electronic functional material and use thereof BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2009-03-12 US claimed
EP-1826837-A1 ORGANIC ELECTRONIC FUNCTIONAL MATERIAL AND USE THEREOF Bando Chemical Industries, Ltd. (JP) 2007-08-29 EP claimed
US-20090066222-A1 Organic electronic functional material and use thereof BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2009-03-12 US disclosed
US-20090066222-A1 Organic electronic functional material and use thereof BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2009-03-12 US disclosed
EP-1826837-A4 ORGANIC ELECTRONIC FUNCTIONAL MATERIAL AND USE THEREOF BANDO CHEMICAL IND (JP) 2009-03-04 EP disclosed
US-7442760-B2 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-10-28 US disclosed
US-7442421-B2 Electroluminescent materials and methods of manufacture and use 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-10-28 US disclosed
US-20070237983-A1 ELECTROLUMINESCENT MATERIALS AND METHODS OF MANUFACTURE AND USE 3M INNOVATIVE PROPERTIES COMPANY 2007-10-11 US disclosed
CN-101053092-A Organic electronic functional material and application thereof BANDO CHEMICAL IND (JP) 2007-10-10 CN disclosed
EP-1826837-A1 ORGANIC ELECTRONIC FUNCTIONAL MATERIAL AND USE THEREOF Bando Chemical Industries, Ltd. (JP) 2007-08-29 EP disclosed
EP-1826837-A1 ORGANIC ELECTRONIC FUNCTIONAL MATERIAL AND USE THEREOF Bando Chemical Industries, Ltd. (JP) 2007-08-29 EP disclosed
US-7241512-B2 Light emitting polymers including a plurality of arylene monomeric units and a plurality of soft segment end caps, side chains and/or internal units 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-07-10 US disclosed
US-7094902-B2 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-08-22 US disclosed
US-20060155106-A1 ELECTROACTIVE POLYMERS 3M INNOVATIVE PROPERTIES COMPANY 2006-07-13 US disclosed
WO-2006049271-A1 ORGANIC ELECTRONIC FUNCTIONAL MATERIAL AND USE THEREOF BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2006-05-11 WO disclosed
EP-1573789-A2 ELECTROACTIVE POLYMERS 3M Innovative Properties Company (US) 2005-09-14 EP disclosed
WO-2004102615-A2 ELECTROACTIVE POLYMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-25 WO disclosed
US-20040062930-A1 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY 2004-04-01 US disclosed
US-20030224205-A1 Electroluminescent materials and methods of manufacture and use 3M INNOVATIVE PROPERTIES COMPANY 2003-12-04 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 (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-20090066222-A1 Organic electronic functional material and use thereof EFNA1, EPB41, ETFB BDKRB2 1100/4885EGFR 1142/4885ERBB2 1610/4885

“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.