SCHEMBL17740695

SCHEMBL17740695

Brc1cccc(-c2cccc(-c3ccc4sc5c6ccccc6ccc5c4c3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 5/20 0.45
▸ CYP1B1 Q16678 5/20 0.45
▸ CYP1A2 P05177 3/20 0.41
▸ BIRC5 O15392 1/20 0.38
▸ LIMK1 P53667 1/20 0.36
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ TDO2 P48775 1/20 0.34
▸ F9 P00740 2/20 0.33
▸ GABRA1 P14867 2/20 0.33
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA3 P34903 2/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRA2 P47869 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
SCHEMBL17382929 0.92 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2LIMK1ALOX5
SCHEMBL17382925 0.92 CYP1A1 (0.45) CYP1A1CYP1B1CYP1A2LIMK1ALOX5
SCHEMBL22688528 0.89 ALOX5 (0.43) CYP1A1CYP1B1CYP1A2BIRC5LIMK1
SCHEMBL22688184 0.89 CYP1A1 (0.47) CYP1A1CYP1B1CYP1A2BIRC5LIMK1
SCHEMBL22789798 0.89 CYP1A1 (0.49) CYP1A1CYP1B1CYP1A2LIMK1ALOX5
SCHEMBL22688539 0.88 ALOX5 (0.42) CYP1A1CYP1B1CYP1A2BIRC5MAOA
SCHEMBL15893273 0.87 CYP1A1 (0.48) CYP1A1CYP1B1CYP1A2LIMK1ALOX5
SCHEMBL17382960 0.87 CYP1A1 (0.41) CYP1A1CYP1B1CYP1A2LIMK1MAOB
SCHEMBL17382939 0.87 CYP1A1 (0.41) CYP1A1CYP1B1CYP1A2LIMK1MAOB
SCHEMBL29344301 0.87 CYP1B1 (0.47) CYP1A1CYP1B1CYP1A2LIMK1ALOX5

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
US-11713291-B2 Compound for organic electronic device, organic electronic device using same, and electronic apparatus thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-08-01 — — US disclosed
US-11713291-B2 Compound for organic electronic device, organic electronic device using same, and electronic apparatus thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-08-01 — — US disclosed
WO-2020130394-A1 ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2020-06-25 — — WO disclosed
EP-3670510-A2 BENZO[B]NAPHTHO[2,3-D]FURANYL- OR BENZO[B]NAPHTHO[2,3-D]THIOPHENYL-TRIAZINE COMPOUNDS FOR ORGANIC ELECTRONIC ELEMENTS Duk San Neolux Co., Ltd. (KR) 2020-06-24 — — EP disclosed
WO-2017200320-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC APPARATUS THEREOF 덕산네오룩스 주식회사 2017-11-23 — — WO disclosed
WO-2017191976-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2017-11-09 — — WO disclosed
US-20170317290-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY APPARATUS USING COMPOSITION FOR ORGANIC ELECTRONIC DEVICE DUK SAN NEOLUX CO., LTD. (KR) 2017-11-02 — — US disclosed
US-20170317290-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY APPARATUS USING COMPOSITION FOR ORGANIC ELECTRONIC DEVICE DUK SAN NEOLUX CO., LTD. (KR) 2017-11-02 — — US disclosed
WO-2017188655-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRONIC ELEMENT 덕산네오룩스 주식회사 2017-11-02 — — WO disclosed
US-20170317289-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY APPARATUS USING COMPOSITION FOR ORGANIC ELECTRONIC DEVICE DUK SAN NEOLUX CO., LTD. (KR) 2017-11-02 — — US disclosed
US-20170317289-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY APPARATUS USING COMPOSITION FOR ORGANIC ELECTRONIC DEVICE DUK SAN NEOLUX CO., LTD. (KR) 2017-11-02 — — US disclosed
WO-2016072690-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY DEVICE USING COMPOSITION FOR ORGANIC ELECTRONIC DEVICE 덕산네오룩스 주식회사 2016-05-12 — — WO disclosed
WO-2016072691-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY DEVICE USING COMPOSITION FOR ORGANIC ELECTRONIC DEVICE 덕산네오룩스 주식회사 2016-05-12 — — 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-11713291-B2 Compound for organic electronic device, organic electronic device using same, and electronic apparatus thereof PIEZO1, ORAI2, EXOC1 CYP1A1 3143/4885CYP1B1 3834/4885CYP1A2 2514/4885
US-20170317289-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY APPARATUS USING COMPOSITION FOR ORGANIC ELECTRONIC DEVICE OCIAD2, OCIAD1, EPHA4 CYP1A1 1980/4885CYP1B1 2957/4885CYP1A2 2484/4885
US-20170317290-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY APPARATUS USING COMPOSITION FOR ORGANIC ELECTRONIC DEVICE OCIAD2, OCIAD1, EPHA4 CYP1A1 1980/4885CYP1B1 2957/4885CYP1A2 2484/4885

“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.

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