SCHEMBL9958428

SCHEMBL9958428

[c]1cc2ccc(-c3ccccc3)cc2c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
BACE1 P56817 1/20 0.35
FGFR1 P11362 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
ALOX5 P09917 1/20 0.34
PGR P06401 1/20 0.34
JAK2 O60674 1/20 0.34
TRIM58 Q8NG06 1/20 0.34
PLA2G2A P14555 1/20 0.33
PLA2G4A P47712 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DHFR P00374 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL9958196 0.87 ESR1 (0.40) ESR1ESR2BACE1ALOX5PGR
SCHEMBL18317453 0.86 ESR1 (0.35) ESR1ESR2ALOX5JAK2TRIM58
SCHEMBL18317761 0.82 DHFR (0.40) ESR1ESR2BACE1ALOX5JAK2
SCHEMBL18317659 0.81 ESR1 (0.38) ESR1ESR2BACE1FGFR1PLG
SCHEMBL2452867 0.78 ALDH1A1 (0.61) ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL70329 0.77 ALDH1A1 (0.43) ESR1ESR2ALOX5ALDH1A1HIF1A
SCHEMBL18317662 0.76 CYP2A6 (0.42) ALDH1A1HIF1ACYP1B1HSD17B10NPC1
SCHEMBL1067479 0.76 ALDH1A1 (0.54) ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL25131 0.76 ALDH1A1 (0.46) ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL30960425 0.76 ESR1 (0.54) ESR1ESR2BACE1FGFR1PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO disclosed
WO-2019163959-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2019-08-29 WO disclosed
EP-2818462-B1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMISCENT ELEMENT CONTAINING THESE AS COMPONENT TOSOH CORP (JP) 2017-11-08 EP disclosed
US-9812652-B2 Cyclic azine compound having adamantyl group, production method, and organic electroluminescent device containing it as constituent component TOSOH CORPORATION (JP) 2017-11-07 US disclosed
US-9624193-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2017-04-18 US disclosed
US-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2016-12-22 US disclosed
US-20150329544-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT TOSOH CORPORATION (JP) 2015-11-19 US disclosed
US-9120773-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2015-09-01 US disclosed
EP-2818462-A1 Cyclic azine derivatives, processes for producing these, and organic electrolumiscent element containing these as component TOSOH CORPORATION (JP) 2014-12-31 EP disclosed
EP-2468731-B1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT TOSOH CORP (JP) 2014-11-05 EP disclosed
US-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT SAGAMI CHEMICAL RESEARCH INSTITUTE, (JP) 2012-08-23 US disclosed
EP-2468731-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT Tosoh Corporation (JP) 2012-06-27 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 (3 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-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT CHRM1, AFF1, AZI2 ESR1 244/4885ESR2 415/4885BACE1 30/4885
US-20150329544-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 ESR1 68/4885ESR2 251/4885BACE1 3728/4885
US-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 ESR1 68/4885ESR2 251/4885BACE1 3728/4885

“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.