SCHEMBL985118

SCHEMBL985118

c1ccc2cc(-c3cc4cccc5c6cccc7cccc(c(c3-c3ccc8ccccc8c3)c45)c76)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
ERBB2 P04626 1/20 0.46
FYN P06241 1/20 0.46
MAOA P21397 1/20 0.46
ACHE P22303 1/20 0.46
AHR P35869 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
THRB P10828 1/20 0.46
GSTP1 P09211 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
CASP1 P29466 2/20 0.39
HIF1A Q16665 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL4451129 0.84 CYP1A2 (0.49) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL15211790 0.83 CYP1A2 (0.52) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2852878 0.82 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL27367886 0.81 GSTP1 (0.53) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL10930786 0.80 CYP1A2 (0.47) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL1375577 0.78 GSTP1 (0.42) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4886590 0.76 MEN1 (0.45) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL28287716 0.76 ALDH1A1 (0.47) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL28172005 0.75 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2903602 0.75 GSTP1 (0.46) CYP1A2ERBB2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2286474-A2 METHOD OF MAKING AN OLED Merck Patent GmbH (DE) 2011-02-23 EP claimed
WO-2009149860-A2 METHOD OF MAKING AN OLED MERCK PATENT GMBH (DE) 2009-12-17 WO claimed
EP-2984079-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LTD (GB) 2020-07-01 EP disclosed
US-10439147-B2 Heterocyclic compounds and their use in electro-optical or opto-electronic devices POWER OLEDS LIMITED (GB) 2019-10-08 US disclosed
US-20180323378-A9 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LIMITED (GB) 2018-11-08 US disclosed
EP-2232611-B1 BARRIER COATED SUBSTRATE AND ELECTRO-OPTICAL DEVICE MERCK PATENT GMBH (DE) 2017-11-01 EP disclosed
EP-2984079-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES Power Oleds Limited (GB) 2016-02-17 EP disclosed
US-20160035983-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LTD (GB) 2016-02-04 US disclosed
US-9221770-B2 Compounds having electron transport properties, their preparation and use MERCK PATENT GMBH (DE) 2015-12-29 US disclosed
EP-2318474-B1 COMPOUND HAVING ELECTROLUMINESCENT OR ELECTRON TRANSPORT PROPERTIES AND ITS PREPARATION AND USE MERCK PATENT GMBH (DE) 2015-05-27 EP disclosed
WO-2014167286-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LIMITED (GB) 2014-10-16 WO disclosed
EP-2286474-A2 METHOD OF MAKING AN OLED Merck Patent GmbH (DE) 2011-02-23 EP disclosed
US-20110006295-A1 COMPOUNDS HAVING ELECTROLUMINESCENT OR ELECTRON TRANSPORT PROPERTIES MERCK PATENT GMBH 2011-01-13 US disclosed
EP-2250151-A1 COMPOUNDS HAVING ELECTROLUMINESCENT OR ELECTRON TRANSPORT PROPERTIES Merck Patent GmbH (DE) 2010-11-17 EP disclosed
EP-2232611-A1 BARRIER COATED SUBSTRATE AND ELECTRO-OPTICAL DEVICE Merck Patent GmbH (DE) 2010-09-29 EP disclosed
WO-2010020352-A1 COMPOUNDS HAVING ELECTRON TRANSPORT PROPERTIES, THEIR PREPARATION AND USE MERCK PATENT GMBH (DE) 2010-02-25 WO disclosed
WO-2010017896-A1 COMPOUND HAVING ELECTROLUMINESCENT OR ELECTRON TRANSPORT PROPERTIES AND ITS PREPARATION AND USE MERCK PATENT GMBH (DE) 2010-02-18 WO disclosed
WO-2009149860-A2 METHOD OF MAKING AN OLED MERCK PATENT GMBH (DE) 2009-12-17 WO disclosed
WO-2009112854-A1 COMPOUNDS HAVING ELECTROLUMINESCENT OR ELECTRON TRANSPORT PROPERTIES MERCK PATENT GMBH (DE) 2009-09-17 WO disclosed
WO-2009090423-A1 BARRIER COATED SUBSTRATE AND ELECTRO-OPTICAL DEVICE MERCK PATENT GMBH (DE) 2009-07-23 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 (4 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-20180323378-A9 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES NAT1, SLCO2A1, SLCO2B1 CYP1A2 296/4885ERBB2 1547/4885FYN 3951/4885
US-20110006295-A1 COMPOUNDS HAVING ELECTROLUMINESCENT OR ELECTRON TRANSPORT PROPERTIES NR2E3, NR4A2, NR4A3 CYP1A2 544/4885ERBB2 665/4885FYN 3496/4885
US-10439147-B2 Heterocyclic compounds and their use in electro-optical or opto-electronic devices NAT1, SLCO2A1, SLCO2B1 CYP1A2 296/4885ERBB2 1547/4885FYN 3951/4885
US-20160035983-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES NAT1, SLCO2A1, SLCO2B1 CYP1A2 296/4885ERBB2 1547/4885FYN 3951/4885

“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.