SCHEMBL2518014

SCHEMBL2518014

Brc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.65
ESR1 P03372 4/20 0.61
ESR2 Q92731 4/20 0.61
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 1/20 0.56
ALOX5 P09917 1/20 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
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
CYP17A1 P05093 1/20 0.48
CYP19A1 P11511 1/20 0.48
MAOB P27338 1/20 0.47
LPL P06858 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL29772972 1.00 CYP2A6 (0.65) CYP2A6ESR1ESR2ALDH1A1MAPK1
SCHEMBL29362228 1.00 CYP2A6 (0.65) CYP2A6ESR1ESR2ALDH1A1MAPK1
SCHEMBL1153471 1.00 CYP2A6 (0.65) CYP2A6ESR1ESR2ALDH1A1MAPK1
SCHEMBL31481607 1.00 CYP2A6 (0.65) CYP2A6ESR1ESR2ALDH1A1MAPK1
SCHEMBL28527548 1.00 CYP2A6 (0.65) CYP2A6ESR1ESR2ALDH1A1MAPK1
Anthracene SCHEMBL28888145 0.98 CYP2A6 (0.62) CYP2A6ESR1ESR2ALDH1A1MAPK1
SCHEMBL25235997 0.94 CYP2A6 (0.58) CYP2A6ESR1ESR2ALDH1A1MAPK1
SCHEMBL12192925 0.93 CYP2A6 (0.77) CYP2A6ESR1ESR2ALDH1A1MAPK1
SCHEMBL28392418 0.93 CYP2A6 (0.56) CYP2A6ESR1ESR2ALDH1A1MAPK1
SCHEMBL2512052 0.91 ALDH1A1 (0.71) CYP2A6ESR1ESR2ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240352009-A1 AMINE COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME HODOGAYA CHEMICAL CO., LTD. (JP) 2024-10-24 US disclosed
US-20240217902-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2024-07-04 US disclosed
US-20240217902-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2024-07-04 US disclosed
CN-117980304-A Amine compound and organic electroluminescent element using same 保土谷化学工业株式会社 2024-05-03 CN disclosed
US-11877508-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2024-01-16 US disclosed
US-11877508-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2024-01-16 US disclosed
EP-4234524-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF Duk San Neolux Co., Ltd. (KR) 2023-08-30 EP disclosed
EP-4219436-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF Duk San Neolux Co., Ltd. (KR) 2023-08-02 EP disclosed
US-20230200214-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2023-06-22 US disclosed
US-20230200214-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2023-06-22 US disclosed
US-20130214259-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOUNDS AND MATERIALS USED FOR THE ORGANIC ELECTROLUMINESCENT ELEMENT, AND LIGHT-EMITTING, DISPLAY AND ILLUMINATING DEVICES USING THE ELEMENTS UDC IRELAND LIMITED (IE) 2013-08-22 US disclosed
US-20130214259-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOUNDS AND MATERIALS USED FOR THE ORGANIC ELECTROLUMINESCENT ELEMENT, AND LIGHT-EMITTING, DISPLAY AND ILLUMINATING DEVICES USING THE ELEMENTS UDC IRELAND LIMITED (IE) 2013-08-22 US disclosed
US-8034256-B2 Naphthalene derivative, material for organic electroluminescence device, and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-10-11 US disclosed
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-30 US disclosed
US-20090008607-A1 NAPHTHALENE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20090008607-A1 NAPHTHALENE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20090008607-A1 NAPHTHALENE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
EP-1950194-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2008-07-30 EP disclosed
US-20070145888-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-06-28 US disclosed
US-20070145888-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-06-28 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 (7 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-20230200214-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF EMC1, EMC2, EPCAM CYP2A6 2104/4885ESR1 42/4885ESR2 172/4885
US-20240352009-A1 AMINE COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME EZH1, AZI2, EPCAM CYP2A6 3913/4885ESR1 202/4885ESR2 317/4885
US-20090008607-A1 NAPHTHALENE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME CCNL2, ARL1, CCNA1 CYP2A6 2048/4885ESR1 147/4885ESR2 64/4885
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT LEF1, AR, NR0B1 CYP2A6 1715/4885ESR1 44/4885ESR2 25/4885
US-20070145888-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME EML4, TYR, ALKBH3 CYP2A6 3610/4885ESR1 132/4885ESR2 421/4885
US-11877508-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof EMC1, EMC2, EPCAM CYP2A6 2104/4885ESR1 42/4885ESR2 172/4885
US-20240217902-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF EMC1, EMC2, AOC1 CYP2A6 2151/4885ESR1 38/4885ESR2 158/4885

“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.