SCHEMBL366996

SCHEMBL366996

Brc1ccccc1-c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.57
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.54
HDAC4 P56524 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
CYP2A6 P11509 1/20 0.48
ESR2 Q92731 2/20 0.47
ESR1 P03372 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ALOX5 P09917 1/20 0.45
DHFR P00374 1/20 0.44
MAOB P27338 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MAOA P21397 1/20 0.44
HSD17B1 P14061 1/20 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
SCHEMBL29800392 1.00 GSTP1 (0.57) GSTP1ALDH1A1MAPK1HDAC4HDAC2
SCHEMBL13016364 0.92 ALDH1A1 (0.56) GSTP1ALDH1A1MAPK1HDAC4HDAC2
SCHEMBL27750334 0.89 GSTP1 (0.47) GSTP1ALDH1A1MAPK1HDAC4HDAC2
SCHEMBL15275207 0.84 GSTP1 (0.59) GSTP1ALDH1A1HDAC4HDAC2HDAC8
SCHEMBL20296875 0.84 GSTP1 (0.50) GSTP1HDAC4HDAC2HDAC8CYP2A6
SCHEMBL29541166 0.84 GSTP1 (0.50) GSTP1HDAC4HDAC2HDAC8CYP2A6
SCHEMBL18133372 0.84 CYP2A6 (0.52) GSTP1ALDH1A1MAPK1HDAC4HDAC2
SCHEMBL30491158 0.84 GSTP1 (0.70) GSTP1ALDH1A1HDAC4HDAC2HDAC8
SCHEMBL28508645 0.84 GSTP1 (0.70) GSTP1ALDH1A1HDAC4HDAC2HDAC8
SCHEMBL20531408 0.83 HDAC4 (0.62) GSTP1HDAC4HDAC2HDAC8CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112979402-A Industrial production method of benzo [ a ] anthracene 西安瑞联新材料股份有限公司 2021-06-18 CN claimed
US-20250301900-A1 ORGANIC COMPOUND AND ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS COMPRISING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2025-09-25 US disclosed
WO-2024152591-A1 ORGANIC COMPOUND AND ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS COMPRISING SAME 陕西莱特光电材料股份有限公司 2024-07-25 WO disclosed
CN-117986107-A Substituted-1, 4-naphthoquinone compound and preparation method thereof 青岛科技大学 2024-05-07 CN disclosed
US-20230257387-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-17 US disclosed
US-20230257387-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-17 US disclosed
US-11680059-B2 Organic mixture and application thereof in organic electronic devices GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2023-06-20 US disclosed
US-11680059-B2 Organic mixture and application thereof in organic electronic devices GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2023-06-20 US disclosed
US-11664093-B2 Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-30 US disclosed
US-11664093-B2 Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-30 US disclosed
US-7504526-B2 Anthracene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2009-03-17 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-20090008606-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-20090008605-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
WO-2008143416-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC LIGHT EMITTING DIODE USING THE SAME GRACEL DISPLAY INC. (KR) 2008-11-27 WO disclosed
WO-2008117976-A1 THIAZOLE SYSTEM ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC LIGHT EMITTING DIODE USING THE SAME GRACEL DISPLAY INC. (KR) 2008-10-02 WO disclosed
US-20070055085-A1 Asymmetric monoanthracene derivative, material for organic electroluminescent device and organic electroluminescent device utilizing the same IDEMITSU KOSAN CO., LTD. (JP) 2007-03-08 US disclosed
EP-1754696-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-02-21 EP disclosed
CN-1871192-A Asymmetric monoanthracene derivative, material for organic electroluminescent device, and organic electroluminescent device using same IDEMITSU KOSAN CO (JP) 2006-11-29 CN disclosed
EP-1707550-A1 ASYMMETRIC MONOANTHRACENE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2006-10-04 EP 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 (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-20090008607-A1 NAPHTHALENE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME CCNL2, ARL1, CCNA1 GSTP1 2916/4885ALDH1A1 673/4885MAPK1 255/4885
US-20090008606-A1 NAPHTHALENE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME NAP1L4, NAP1L1, ARL1 GSTP1 2585/4885ALDH1A1 465/4885MAPK1 460/4885
US-20090008605-A1 NAPHTHALENE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME NAP1L1, NAP1L4, NAT1 GSTP1 2686/4885ALDH1A1 278/4885MAPK1 250/4885
US-20250301900-A1 ORGANIC COMPOUND AND ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS COMPRISING SAME OR10J3, AOC2, OR51E2 GSTP1 1993/4885ALDH1A1 390/4885MAPK1 1999/4885
US-20230257387-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF OCIAD1, OCIAD2, EPCAM GSTP1 1239/4885ALDH1A1 657/4885MAPK1 3722/4885
US-11680059-B2 Organic mixture and application thereof in organic electronic devices OCIAD1, OCIAD2, SORD GSTP1 2428/4885ALDH1A1 2289/4885MAPK1 3145/4885

“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.