SCHEMBL68634

SCHEMBL68634

c1ccc([N]C2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.38
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 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
SCHEMBL70001 0.74 GPR3 (0.44) GPR3HTR2AALDH1A1CYP1A2CYP2D6
SCHEMBL6550865 0.70 GPR3 (0.41) GPR3HTR2AALDH1A1CYP1A2CYP2D6
SCHEMBL13185884 0.70 GPR3 (0.41) GPR3HTR2AALDH1A1CYP1A2CYP2D6
SCHEMBL8458737 0.70 GPR3 (0.41) GPR3HTR2AALDH1A1CYP1A2CYP2D6
SCHEMBL28158482 0.67 LMNA (0.44) GPR3HTR2AALDH1A1CYP1A2CYP2D6
Fluoride Ion SCHEMBL3384407 0.66 GPR3 (0.46) GPR3HTR2AALDH1A1CYP1A2CYP2D6
SCHEMBL14537425 0.65 GPR3 (0.37) GPR3HTR2AALDH1A1CYP1A2CYP2D6
SCHEMBL4698772 0.65 GPR3 (0.37) GPR3HTR2AALDH1A1CYP1A2CYP2D6
SCHEMBL27804939 0.65 GPR3 (0.37) GPR3HTR2AALDH1A1CYP1A2CYP2D6
SCHEMBL3837050 0.65 GPR3 (0.37) GPR3HTR2AALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584719-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-02-21 US claimed
US-20220255017-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2022-08-11 US claimed
US-11302874-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2022-04-12 US claimed
CN-113950475-A Organic electroluminescent compounds and organic electroluminescent device comprising the same 罗门哈斯电子材料韩国有限公司 2022-01-18 CN claimed
US-20210399231-A1 ORGANIC ELECTROLUMINESCENT DEVICE DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-12-23 US claimed
CN-110337432-B Organic electroluminescent compounds and organic electroluminescent device comprising the same 罗门哈斯电子材料韩国有限公司 2021-10-01 CN claimed
CN-112640142-A Organic electroluminescent device 罗门哈斯电子材料韩国有限公司 2021-04-09 CN claimed
US-20210043848-A1 COMPOSITION MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-02-11 US claimed
CN-112352325-A Multiple host materials and organic electroluminescent device comprising the same 罗门哈斯电子材料韩国有限公司 2021-02-09 CN claimed
US-20210036239-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2021-02-04 US claimed
US-20200235307-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2020-07-23 US claimed
US-20200207712-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2020-07-02 US claimed
US-20200207713-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2020-07-02 US claimed
CN-111133078-A Organic electroluminescent compounds and organic electroluminescent device comprising the same 罗门哈斯电子材料韩国有限公司 2020-05-08 CN claimed
WO-2019190149-A1 COMPOSITION MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2019-10-03 WO claimed
WO-2019190184-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2019-10-03 WO claimed
WO-2019177407-A1 COMPOSITION MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2019-09-19 WO claimed
WO-2019066258-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2019-04-04 WO claimed
WO-2018160022-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2018-09-07 WO claimed
WO-2018159964-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2018-09-07 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-11584719-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ELAVL1, SOD1, TELO2 GPR3 4397/4885HTR2A 3626/4885ALDH1A1 858/4885
US-11302874-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ELAVL1, ICOSLG, ELAVL3 GPR3 4656/4885HTR2A 3789/4885ALDH1A1 1268/4885
US-20220255017-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OR10J3, ICOSLG, TRPM4 GPR3 4200/4885HTR2A 3707/4885ALDH1A1 762/4885
US-20210043848-A1 COMPOSITION MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME LIMS1, TERT, TELO2 GPR3 4559/4885HTR2A 4520/4885ALDH1A1 2791/4885
US-20200207713-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ELAVL1, SOD1, TELO2 GPR3 4397/4885HTR2A 3626/4885ALDH1A1 858/4885
US-20200207712-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ELAVL1, SOD1, TELO2 GPR3 4397/4885HTR2A 3626/4885ALDH1A1 858/4885

“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.