SCHEMBL5749029

SCHEMBL5749029

Cc1cccc2[c]c3ccccc3cc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP1A2 P05177 7/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
BRD4 O60885 1/20 0.32
NQO1 P15559 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL2252110 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2HSD17B10HPGDTSHR
SCHEMBL7193577 0.76 CYP1A2 (0.50) ALDH1A1CYP1A2HSD17B10HPGDTSHR
SCHEMBL8596507 0.76 HPRT1 (0.34) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL821036 0.76 CYP1A2 (0.40) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL5747837 0.76 GABRA1 (0.36) CYP2A6ALDH1A1CYP1A2TDP1MAPT
SCHEMBL2256687 0.76 NQO1 (0.55) ALDH1A1CYP1A2HSD17B10HPGDACHE
SCHEMBL2253464 0.76 MCL1 (0.46) ALDH1A1CYP1A2TSHRTDP1L3MBTL1
SCHEMBL24252 0.75 CYP2A6 (0.41) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL25252116 0.74 ALDH1A1 (0.40) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL1776822 0.73 CYP1A2 (0.38) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699074-A Compound of spiro structure and organic electronic device comprising the same 株式会社LG化学 2018-10-23 CN claimed
CN-108493343-A The application of a kind of perovskite thin film and preparation method thereof and the film in the opto-electronic device 清华大学 2018-09-04 CN claimed
CN-108368077-A Heterocyclic compound and organic light-emitting device comprising same 株式会社LG化学 2018-08-03 CN claimed
CN-108137499-A Amine-based compound and organic light emitting device including the same 株式会社LG化学 2018-06-08 CN claimed
CN-108101922-A Organic electroluminescent compounds, organic electroluminescence device and its application 南京高光半导体材料有限公司 2018-06-01 CN claimed
CN-108055841-A Compound and organic electronic device comprising the same 株式会社LG化学 2018-05-18 CN claimed
CN-111487336-A Method for analyzing 37 fentanyl novel psychoactive substances in hair 司法鉴定科学研究院 2020-08-04 CN disclosed
CN-105940517-B Organic solar cell and method for manufacturing same 株式会社LG化学 2018-11-09 CN disclosed
CN-108699074-A Compound of spiro structure and organic electronic device comprising the same 株式会社LG化学 2018-10-23 CN disclosed
CN-108493343-A The application of a kind of perovskite thin film and preparation method thereof and the film in the opto-electronic device 清华大学 2018-09-04 CN disclosed
CN-108368077-A Heterocyclic compound and organic light-emitting device comprising same 株式会社LG化学 2018-08-03 CN disclosed
CN-108369992-A Organic E L light-emitting device and electronic apparatus 出光兴产株式会社 2018-08-03 CN disclosed
CN-108352455-A Light-emitting component and its manufacturing method and luminescent method 夏普株式会社 2018-07-31 CN 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
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 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 (1 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-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 CYP2A6 3586/4885ALDH1A1 267/4885CYP1A2 1801/4885

“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.