SCHEMBL651587

SCHEMBL651587

C#Cc1ccccc1-c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 3/20 0.44
ESR2 Q92731 1/20 0.41
PTGES O14684 1/20 0.41
PTPRC P08575 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NPC1 O15118 5/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.34
PLK4 O00444 1/20 0.34
AURKA O14965 1/20 0.34

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
SCHEMBL6757877 0.83 CYP2A6 (0.44) ALDH1A1MAPK1ESR2NPC1RAB9A
SCHEMBL3947197 0.83 ALDH1A1 (0.48) ALDH1A1MAPK1ESR2PTGESPTPRC
SCHEMBL1302811 0.82 CYP2A6 (0.48) ALDH1A1MAPK1ESR2HPGDTDP1
SCHEMBL6517747 0.81 ESR2 (0.42) ESR2CYP2A6PTPN5
SCHEMBL29159006 0.80 CYP2A6 (0.46) ALDH1A1MAPK1ESR2HPGDTDP1
SCHEMBL7932862 0.79 ESR2 (0.41) ALDH1A1MAPK1ESR2NPC1RAB9A
SCHEMBL6512088 0.79 ESR2 (0.41) ESR2CYP2A6PTPN5
SCHEMBL29588993 0.79 CYP3A4 (0.44) ALDH1A1ESR2NPC1RAB9ASMN1; SMN2
SCHEMBL27762468 0.79 CYP1A2 (0.44) ALDH1A1ESR2SLC6A3NPC1RAB9A
SCHEMBL3126331 0.79 ESR2 (0.66) ALDH1A1MAPK1ESR2PTGESNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114874088-A Acetylenic acid and preparation method thereof 中国科学院上海高等研究院 2022-08-09 CN disclosed
EP-2065378-B1 Quinoxaline derivate, and light-emitting element, light-emitting device, and electronic device using quinoxaline derivative SEMICONDUCTOR ENERGY LAB (JP) 2015-01-28 EP disclosed
US-8815412-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic appliance using the quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-08-26 US disclosed
EP-2004616-B1 QUINOXALINE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE USING THE QUINOXALINE DERIVATIVE SEMICONDUCTOR ENERGY LAB (JP) 2014-05-21 EP disclosed
US-20140046084-A1 Siloxane Compound and Cured Product Thereof CENTRAL GLASS COMPANY, LIMITED (JP) 2014-02-13 US disclosed
US-8586740-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device using quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-11-19 US disclosed
US-8471017-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, electronic device using the quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO. LTD. (JP) 2013-06-25 US disclosed
US-20130049577-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2013-02-28 US disclosed
US-8314101-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device using quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-11-20 US disclosed
US-8119259-B2 Quinoxaline derivative, and light-emitting element and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-21 US disclosed
US-7696348-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, electronic device using the quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORIES CO., LTD. (JP) 2010-04-13 US disclosed
US-20090203704-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-08-13 US disclosed
US-20090184633-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Appliance Using the Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-07-23 US disclosed
US-20090140641-A1 Quinoxaline Derivative and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-04 US disclosed
US-20090140644-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-04 US disclosed
US-20090140642-A1 Quinoxaline Derivative, and Light-Emitting Element and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-04 US disclosed
EP-2065378-A1 Quinoxaline derivate, and light-emitting element, light-emitting device, and electronic device using quinoxaline derivative Semiconductor Energy Laboratory Co, Ltd. (JP) 2009-06-03 EP disclosed
EP-2004616-A1 QUINOXALINE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE USING THE QUINOXALINE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-12-24 EP disclosed
WO-2007108403-A1 QUINOXALINE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE USING THE QUINOXALINE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-09-27 WO disclosed
US-20070222374-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, electronic device using the quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-09-27 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 (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-20090184633-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Appliance Using the Quinoxaline Derivative H1-0, NQO2, GDI1 ALDH1A1 499/4885MAPK1 1615/4885ESR2 2914/4885
US-20090140641-A1 Quinoxaline Derivative and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Quinoxaline Derivative PDXK, PPOX, NQO1 ALDH1A1 764/4885MAPK1 2318/4885ESR2 2697/4885
US-20090203704-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Quinoxaline Derivative PDXK, NQO1, PPOX ALDH1A1 1105/4885MAPK1 2040/4885ESR2 2806/4885
US-20090140644-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Same CRY1, CYP1A1, CRY2 ALDH1A1 79/4885MAPK1 1350/4885ESR2 214/4885
US-20090140642-A1 Quinoxaline Derivative, and Light-Emitting Element and Electronic Device Using the Same NDUFA11, NDUFA9, NDUFA12 ALDH1A1 345/4885MAPK1 1025/4885ESR2 1796/4885
US-20070222374-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, electronic device using the quinoxaline derivative NDUFA9, MT-ND1, NQO2 ALDH1A1 322/4885MAPK1 515/4885ESR2 3328/4885

“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.