SCHEMBL1994841

SCHEMBL1994841

c1ccc(-n2c(-c3cccc(-c4cccc5c4oc4ccccc45)c3)nc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
ALOX5 P09917 2/20 0.45
HDAC1 Q13547 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
RECQL P46063 1/20 0.44
GGPS1 O95749 1/20 0.42
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
GSK3B P49841 1/20 0.40
ROCK1 Q13464 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGER4 P35408 1/20 0.38
GRIA1 P42261 1/20 0.38
CACNG8 Q8WXS5 1/20 0.38

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
SCHEMBL12568052 0.96 ESR1 (0.47) ESR1ESR2ALOX5HDAC1HDAC8
SCHEMBL15446518 0.96 ESR1 (0.44) ESR1ESR2ALOX5HDAC1HDAC8
SCHEMBL12568068 0.94 ESR1 (0.44) ESR1ESR2ALOX5HDAC1HDAC8
SCHEMBL12568072 0.93 ESR1 (0.44) ESR1ESR2ALOX5HDAC1HDAC8
SCHEMBL18314571 0.92 ALOX5 (0.42) ESR1ESR2ALOX5HDAC1HDAC8
SCHEMBL12568086 0.92 ESR1 (0.49) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL12613345 0.92 ALOX5 (0.42) ESR1ESR2ALOX5HDAC1HDAC8
SCHEMBL1994838 0.91 ESR1 (0.48) ESR1ESR2ALOX5HDAC1HDAC8
SCHEMBL12568069 0.90 RECQL (0.41) ESR1ESR2ALOX5HDAC1HDAC8
SCHEMBL15446562 0.90 ESR1 (0.44) ESR1ESR2ALOX5HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3533794-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-02-23 EP disclosed
US-10985330-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2021-04-20 US disclosed
EP-3533794-A2 MATERIALS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2019-09-04 EP disclosed
US-10355223-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-07-16 US disclosed
EP-3137458-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-04-24 EP disclosed
US-20170062736-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-03-02 US disclosed
US-20170062736-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-03-02 US disclosed
WO-2015165563-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-11-05 WO disclosed
EP-2662369-B1 Benzimidazol-2-yl-phenyl compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LAB (JP) 2015-09-23 EP disclosed
EP-2662369-B1 Benzimidazol-2-yl-phenyl compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LAB (JP) 2015-09-23 EP disclosed
EP-2354135-B1 Benzimidazol-2-yl-phenyl compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LAB (JP) 2013-09-18 EP disclosed
EP-2354135-B1 Benzimidazol-2-yl-phenyl compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LAB (JP) 2013-09-18 EP disclosed
US-8354542-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-01-15 US disclosed
US-8354542-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-01-15 US disclosed
US-8354542-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-01-15 US disclosed
EP-2354135-A1 benzimidazol-2-yl-phenyl compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-08-10 EP disclosed
EP-2354135-A1 benzimidazol-2-yl-phenyl compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-08-10 EP disclosed
US-20110147792-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2011-06-23 US disclosed
US-20110147792-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2011-06-23 US disclosed
US-20110147792-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2011-06-23 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 (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-20110147792-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device CCNE2, CCNE1, CCNT1 ESR1 32/4885ESR2 216/4885ALOX5 1235/4885
US-20170062736-A1 MATERIALS FOR ELECTRONIC DEVICES EPHA3, EPHA6, DDT ESR1 20/4885ESR2 76/4885ALOX5 3691/4885
US-10355223-B2 Materials for electronic devices EPHA3, EPHA6, DDT ESR1 20/4885ESR2 76/4885ALOX5 3691/4885
US-10985330-B2 Materials for electronic devices EPHA3, EPHA6, DDT ESR1 20/4885ESR2 76/4885ALOX5 3691/4885

“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.