SCHEMBL802645

SCHEMBL802645

CC1(C)c2cc3[nH]c4ccccc4c3cc2-c2cc3c(cc21)[nH]c1ccccc13

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.59
PGR P06401 1/20 0.54
KIF11 P52732 12/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
GPR3 P46089 1/20 0.50
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL18351619 0.95 AHR (0.53) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL31680 0.94 AHR (0.52) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL29506376 0.94 AHR (0.52) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL21217609 0.92 AHR (0.50) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL18488979 0.89 AHR (0.63) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL17996091 0.88 AHR (0.46) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL24633223 0.87 AHR (0.45) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL18519189 0.87 AHR (0.45) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL29438560 0.87 AHR (0.52) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL31619 0.87 AHR (0.52) AHRPGRKIF11ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3978491-A1 NITROGEN-CONTAINING HETEROCYCLES FOR USE IN OLEDS Merck Patent GmbH (DE) 2022-04-06 EP disclosed
US-10847727-B2 Compositions for electronic devices MERCK PATENT GMBH (DE) 2020-11-24 US disclosed
US-20200066994-A1 NITROGEN-CONTAINING HETEROCYCLES FOR USE IN OLEDS MERCK PATENT GMBH (DE) 2020-02-27 US disclosed
US-9978957-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-05-22 US disclosed
EP-2768808-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-15 EP disclosed
US-9818948-B2 Carbazole derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2017-11-14 US disclosed
US-20170141328-A1 COMPOSITIONS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-05-18 US disclosed
EP-2758372-B1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-05-17 EP disclosed
US-9537105-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-01-03 US disclosed
US-9515266-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-12-06 US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 US disclosed
US-20140275530-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2014-09-18 US disclosed
US-20140225046-A1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2014-08-14 US disclosed
WO-2014106524-A2 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-07-10 WO disclosed
US-20130240796-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmnH (DE) 2013-09-19 US disclosed
US-20130240796-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmnH (DE) 2013-09-19 US disclosed
WO-2013041176-A1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2013-03-28 WO disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 US disclosed
WO-2010136109-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-02 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-20200066994-A1 NITROGEN-CONTAINING HETEROCYCLES FOR USE IN OLEDS CYCS, OCIAD2, OCIAD1 AHR 287/4885PGR 2890/4885KIF11 4192/4885
US-20170141328-A1 COMPOSITIONS FOR ELECTRONIC DEVICES EFNA1, EPHA6, EPHB6 AHR 1411/4885PGR 726/4885KIF11 3061/4885
US-10847727-B2 Compositions for electronic devices EFNA1, EPHA6, EPHB6 AHR 1411/4885PGR 726/4885KIF11 3061/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 AHR 1011/4885PGR 1496/4885KIF11 2124/4885

“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.