SCHEMBL20290613

SCHEMBL20290613

Clc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccccc34)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I3 Q14994 1/20 0.45
▸ ALOX5 P09917 2/20 0.45
▸ GABRP O00591 1/20 0.45
▸ GABRD O14764 1/20 0.45
▸ GABRA1 P14867 1/20 0.45
▸ GABRB1 P18505 1/20 0.45
▸ GABRG2 P18507 1/20 0.45
▸ GABRB3 P28472 1/20 0.45
▸ GABRA5 P31644 1/20 0.45
▸ GABRA3 P34903 1/20 0.45
▸ GABRA2 P47869 1/20 0.45
▸ GABRB2 P47870 1/20 0.45
▸ GABRA4 P48169 1/20 0.45
▸ GABRE P78334 1/20 0.45
▸ GABRA6 Q16445 1/20 0.45
▸ GABRG1 Q8N1C3 1/20 0.45
▸ GABRG3 Q99928 1/20 0.45
▸ GABRQ Q9UN88 1/20 0.45
▸ PDE5A O76074 2/20 0.44
▸ ABCG2 Q9UNQ0 2/20 0.44

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
SCHEMBL30340625 1.00 NR1I3 (0.45) NR1I3ALOX5GABRPGABRDGABRA1
SCHEMBL30034436 1.00 NR1I3 (0.45) NR1I3ALOX5GABRPGABRDGABRA1
SCHEMBL20290625 0.97 NR1I3 (0.43) NR1I3ALOX5GABRPGABRDGABRA1
SCHEMBL26435899 0.97 ALOX5 (0.47) NR1I3ALOX5GABRPGABRDGABRA1
SCHEMBL21689733 0.95 ALOX5 (0.46) NR1I3ALOX5GABRPGABRDGABRA1
SCHEMBL22061689 0.91 ALOX5 (0.44) ALOX5PDE5AABCG2AHRNPC1
SCHEMBL21191942 0.91 AHR (0.54) ALOX5GABRPGABRDGABRA1GABRB1
SCHEMBL18212427 0.91 ALOX5 (0.50) ALOX5TP53TSHRSMN1; SMN2NFKB1
SCHEMBL24363412 0.90 AHR (0.54) NR1I3ALOX5GABRPGABRDGABRA1
SCHEMBL26231718 0.90 NR1I3 (0.43) NR1I3ALOX5GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112912375-B Compound and organic light emitting device comprising the same 株式会社LG化学 2024-05-21 — — CN disclosed
US-11917910-B2 Organic compound and organic electroluminescent device using the same SOLUS ADVANCED MATERIALS CO., LTD. (KR) 2024-02-27 — — US disclosed
US-11917910-B2 Organic compound and organic electroluminescent device using the same SOLUS ADVANCED MATERIALS CO., LTD. (KR) 2024-02-27 — — US disclosed
EP-3744155-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-11-02 — — EP disclosed
CN-112912375-A Novel compound and organic light emitting device comprising same 株式会社LG化学 2021-06-04 — — CN disclosed
US-20210111351-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-04-15 — — US disclosed
WO-2020242161-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-12-03 — — WO disclosed
WO-2020242161-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-12-03 — — WO disclosed
US-20200251659-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOOSAN CORPORATION (KR) 2020-08-06 — — US disclosed
WO-2019145316-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-08-01 — — WO disclosed
WO-2019004599-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 2019-01-03 — — WO disclosed
WO-2018117493-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2018-06-28 — — WO disclosed
WO-2018110958-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2018-06-21 — — WO 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-20200251659-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME VDAC1, OR10J3, PIEZO1 NR1I3 4046/4885ALOX5 775/4885GABRP 4286/4885
US-20210111351-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, L1CAM, EPCAM NR1I3 3550/4885ALOX5 2211/4885GABRP 3647/4885
US-11917910-B2 Organic compound and organic electroluminescent device using the same VDAC1, OR10J3, PIEZO1 NR1I3 4046/4885ALOX5 775/4885GABRP 4286/4885

“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.

Send feedback