SCHEMBL9958724

SCHEMBL9958724

[c]1ccc(-c2ccccc2)c2ccc3ccccc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.40
TNF P01375 1/20 0.39
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 4/20 0.38
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
CYP2A6 P11509 1/20 0.38
CYP1B1 Q16678 6/20 0.38
CYP1A1 P04798 5/20 0.38
CYP1A2 P05177 4/20 0.38
MAPT P10636 6/20 0.37
KDM4E B2RXH2 5/20 0.37
HPGD P15428 4/20 0.37
TP53 P04637 2/20 0.37
MAPK1 P28482 2/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
PDE5A O76074 1/20 0.37
ABCB1 P08183 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL18606117 0.85 CYP1B1 (0.42) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL18321134 0.77 TNF (0.41) HPRT1TNFALDH1A1HSD17B10TSHR
SCHEMBL18317392 0.74 ALDH1A1 (0.48) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL9957632 0.74 ALDH1A1 (0.39) HPRT1TNFALDH1A1HSD17B10TSHR
SCHEMBL27631995 0.72 HPRT1 (0.64) HPRT1TNFALDH1A1HSD17B10TSHR
SCHEMBL443518 0.72 HPRT1 (0.64) HPRT1TNFALDH1A1HSD17B10TSHR
SCHEMBL533267 0.71 PARP1 (0.35) TNFALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL27656764 0.70 KMT2A (0.43) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL25021 0.70 ALDH1A1 (0.50) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL27620091 0.70 HPRT1 (0.67) HPRT1TNFALDH1A1HSD17B10TSHR

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 HPRT1 2844/4885TNF 4672/4885ALDH1A1 200/4885
US-20150329544-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 HPRT1 1568/4885TNF 4881/4885ALDH1A1 267/4885
US-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 HPRT1 1568/4885TNF 4881/4885ALDH1A1 267/4885

“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.