SCHEMBL21906405

SCHEMBL21906405

Clc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.65
ESR1 P03372 3/20 0.61
ESR2 Q92731 3/20 0.61
CYP1A2 P05177 2/20 0.56
CNR1 P21554 1/20 0.54
ALOX5 P09917 3/20 0.54
HSD17B1 P14061 1/20 0.52
HSD17B2 P37059 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
GSTP1 P09211 1/20 0.50
BACE1 P56817 1/20 0.50
CYP17A1 P05093 1/20 0.48
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL31690684 1.00 CYP2A6 (0.65) CYP2A6ESR1ESR2CYP1A2CNR1
SCHEMBL11467510 1.00 CYP2A6 (0.65) CYP2A6ESR1ESR2CYP1A2CNR1
SCHEMBL30622737 1.00 CYP2A6 (0.65) CYP2A6ESR1ESR2CYP1A2CNR1
SCHEMBL30659437 1.00 CYP2A6 (0.65) CYP2A6ESR1ESR2CYP1A2CNR1
SCHEMBL26566462 0.98 CYP2A6 (0.62) CYP2A6ESR1ESR2CYP1A2CNR1
SCHEMBL21664189 0.96 CYP2A6 (0.60) CYP2A6ESR1ESR2CYP1A2CNR1
SCHEMBL23179154 0.94 CNR1 (0.58) CYP2A6ESR1ESR2CYP1A2CNR1
SCHEMBL30049921 0.94 CNR1 (0.58) CYP2A6ESR1ESR2CYP1A2CNR1
SCHEMBL24842050 0.94 CNR1 (0.58) CYP2A6ESR1ESR2CYP1A2CNR1
SCHEMBL27254467 0.94 CNR1 (0.58) CYP2A6ESR1ESR2CYP1A2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111138342-B Novel compound and organic electroluminescent device comprising the same 乐金显示有限公司 2023-10-31 CN disclosed
US-20230301126-A1 Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2023-09-21 US disclosed
US-20230301126-A1 Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2023-09-21 US disclosed
US-11647642-B2 Light-emitting device, light-emitting apparatus, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2023-05-09 US disclosed
US-11647642-B2 Light-emitting device, light-emitting apparatus, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2023-05-09 US disclosed
US-11545630-B2 Compound and organic electroluminescent device comprising the same LG DISPLAY CO., LTD. (KR) 2023-01-03 US disclosed
US-11545630-B2 Compound and organic electroluminescent device comprising the same LG DISPLAY CO., LTD. (KR) 2023-01-03 US disclosed
US-20210367177-A1 LIGHT-EMITTING DEVICE, LIGHT-EMITTING APPARATUS, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2021-11-25 US disclosed
US-20210126213-A1 Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2021-04-29 US disclosed
CN-111138342-A Novel compound and organic electroluminescent device comprising same 乐金显示有限公司 2020-05-12 CN disclosed
US-20200144509-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME MATERIAL SCIENCE CO., LTD. (KR) 2020-05-07 US disclosed
US-20200144509-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME MATERIAL SCIENCE CO., LTD. (KR) 2020-05-07 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 (2 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-11545630-B2 Compound and organic electroluminescent device comprising the same PIEZO1, KCNN2, ORAI2 CYP2A6 2963/4885ESR1 89/4885ESR2 358/4885
US-20200144509-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME PIEZO1, KCNN2, HCN2 CYP2A6 3873/4885ESR1 155/4885ESR2 548/4885

“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.