SCHEMBL4409974

SCHEMBL4409974

Brc1ccc2c(c1)C1(c3cc(Br)ccc3-2)c2cc(I)ccc2-c2ccc(I)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.40
S100A4 P26447 1/20 0.35
AKR1A1 P14550 1/20 0.35
AKR1B1 P15121 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
TDP2 O95551 3/20 0.34
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
METAP1 P53582 1/20 0.32
PTPRC P08575 1/20 0.31
BCL2 P10415 1/20 0.31

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
SCHEMBL16625694 1.00 PDK2 (0.40) PDK2S100A4AKR1A1AKR1B1CA1
SCHEMBL6294129 1.00 PDK2 (0.40) PDK2S100A4AKR1A1AKR1B1CA1
SCHEMBL808025 0.91 PDK2 (0.49) PDK2S100A4AKR1A1AKR1B1TDP2
SCHEMBL15138225 0.91 PDK2 (0.49) PDK2S100A4AKR1A1AKR1B1TDP2
SCHEMBL6864497 0.87 TDP2 (0.41) TDP2
SCHEMBL29404184 0.87 PDK2 (0.47) PDK2S100A4AKR1A1AKR1B1CA1
SCHEMBL437007 0.87 PDK2 (0.47) PDK2S100A4AKR1A1AKR1B1CA1
SCHEMBL15138218 0.86 PDK2 (0.41) PDK2AKR1A1AKR1B1PTPRC
SCHEMBL30113034 0.84 PDK2 (0.38) PDK2S100A4AKR1A1AKR1B1CA1
SCHEMBL10020319 0.84 PDK2 (0.38) PDK2S100A4AKR1A1AKR1B1CA1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9343683-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2016-05-17 US disclosed
US-9343683-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2016-05-17 US disclosed
US-9343683-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2016-05-17 US disclosed
US-20130015403-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-01-17 US disclosed
US-20130015403-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-01-17 US disclosed
US-20130015403-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-01-17 US disclosed
WO-2011116869-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-09-29 WO disclosed
US-7638594-B2 Conjugated polymers containing spirobifluorene units and the use thereof MERCK PATENT GMBH (DE) 2009-12-29 US disclosed
US-7323533-B2 Conjugated polymers containing spirobifluorene units and the use thereof COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2008-01-29 US disclosed
US-20070265473-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2007-11-15 US disclosed
EP-1427768-A2 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF Covion Organic Semiconductors GmbH (DE) 2004-06-16 EP disclosed
EP-0935691-B1 OPTICAL BRIGHTENING AGENT COVION ORGANIC SEMICONDUCTORS (DE) 2004-05-26 EP disclosed
WO-2003020790-A2 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2003-03-13 WO disclosed
EP-0676461-B1 Spiro compounds and their application as electroluminescence materials COVION ORGANIC SEMICONDUCTORS (DE) 2002-08-14 EP disclosed
EP-1053578-B1 USE OF SPIRO COMPOUNDS AS LASER DYES COVION ORGANIC SEMICONDUCTORS (DE) 2002-05-08 EP disclosed
US-6187224-B1 ORGANIC SPIRO COMPOUNDS WHICH COMPRISE A CONJUGATED SYSTEM AXIVA GMBH (DE) 2001-02-13 US disclosed
EP-0935691-A1 OPTICAL BRIGHTENING AGENT Aventis Research & Technologies GmbH & Co. KG (DE) 1999-08-18 EP disclosed
US-5840217-A LIGHT-EMITTING, CHARGE-TRANSPORT, CHARGE-INJECTION MATERIALS HOECHST AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed
WO-1998018996-A1 OPTICAL BRIGHTENING AGENT AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-05-07 WO disclosed
EP-0676461-A2 Spiro compounds and their application as electroluminescence materials HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-11 EP 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-20130015403-A1 COMPOUNDS FOR ELECTRONIC DEVICES TEC, EFNA1, SLCO4C1 PDK2 871/4885S100A4 937/4885AKR1A1 1238/4885
US-20070265473-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF ALDH1A2, SELE, PPOX PDK2 1042/4885S100A4 2812/4885AKR1A1 1140/4885

“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.