Toluene

Toluene

SCHEMBL17008152

CCCCCCCCc1c(CCCCCCC)c(CCCCCCC)c(CCCCCCC)c(CCCCCCC)c1CCCCCCC.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
ACHE P22303 1/20 0.50
KCNH2 Q12809 3/20 0.47
LIPG Q9Y5X9 1/20 0.47
HTT P42858 1/20 0.47
TLR8 Q9NR97 2/20 0.45
HTR2A P28223 1/20 0.44
HSD11B1 P28845 1/20 0.43

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
Toluene SCHEMBL374212 0.94 LMNA (0.44) LMNATSHRALOX12ACHEKCNH2
Toluene SCHEMBL18334408 0.94 LMNA (0.44) LMNATSHRALOX12ACHEKCNH2
Toluene SCHEMBL8583487 0.94 LMNA (0.44) LMNATSHRALOX12ACHEKCNH2
Octane SCHEMBL11135695 0.91 TSHR (0.61) LMNATSHRALOX12ACHEKCNH2
Dodecane SCHEMBL4946383 0.91 TSHR (0.61) LMNATSHRALOX12ACHEKCNH2
Heptane SCHEMBL16466974 0.91 TSHR (0.61) LMNATSHRALOX12ACHEKCNH2
Heptane SCHEMBL6664964 0.91 TSHR (0.61) LMNATSHRALOX12ACHEKCNH2
Heptane SCHEMBL7745742 0.91 TSHR (0.61) LMNATSHRALOX12ACHEKCNH2
Heptane SCHEMBL11509356 0.91 TSHR (0.61) LMNATSHRALOX12ACHEKCNH2
Octane SCHEMBL11193559 0.91 TSHR (0.61) LMNATSHRALOX12ACHEKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11963443-B2 Organic light emitting diode and organic light emitting device including the same LG DISPLAY CO., LTD. (KR) 2024-04-16 US disclosed
US-11807656-B2 Polycyclic aromatic compound and light emission layer-forming composition KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-11-07 US disclosed
US-11723263-B2 Organic electroluminescent element KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-08-08 US disclosed
CN-110249442-B Compound (I) 学校法人关西学院 2022-11-22 CN disclosed
CN-110291652-B Organic electroluminescent element, display device, lighting device, and compound 学校法人关西学院 2022-05-17 CN disclosed
US-20210408386-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2021-12-30 US disclosed
US-20210395274-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2021-12-23 US disclosed
US-20210367164-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2021-11-25 US disclosed
EP-3903359-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG Display Co., Ltd. (KR) 2021-11-03 EP disclosed
EP-3903360-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG Display Co., Ltd. (KR) 2021-11-03 EP disclosed
CN-109155368-A Organic electric-field light-emitting element 学校法人关西学院 2019-01-04 CN disclosed
EP-3109253-B1 POLYCYCLIC AROMATIC COMPOUNDS AND THEIR USE AS ORGANIC DEVICE MATERIAL KWANSEI GAKUIN EDUCATIONAL FOUND (JP) 2018-10-24 EP disclosed
US-20180301629-A1 ORGANIC ELECTROLUMINESCENT ELEMENT KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2018-10-18 US disclosed
EP-3345911-A1 POLYCYCLIC AROMATIC COMPOUNDS AND THEIR USE AS ORGANIC DEVICE MATERIAL Kwansei Gakuin Educational Foundation (JP) 2018-07-11 EP disclosed
US-20180094000-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2018-04-05 US disclosed
CN-107851724-A Organic electric-field light-emitting element 学校法人关西学院 2018-03-27 CN disclosed
CN-106905367-A Polycyclc aromatic compound, polymer and its manufacture method and its application 学校法人关西学院 2017-06-30 CN disclosed
EP-3109253-A1 POLYCYCLIC AROMATIC COMPOUND Kwansei Gakuin Educational Foundation (JP) 2016-12-28 EP disclosed
CN-105431439-A Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUND 2016-03-23 CN disclosed
US-20150236274-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2015-08-20 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-11807656-B2 Polycyclic aromatic compound and light emission layer-forming composition ARNT, TYR, NLRP3 LMNA 499/4885TSHR 4586/4885ALOX12 1919/4885
US-20150236274-A1 POLYCYCLIC AROMATIC COMPOUND PAH, ALK, AOC2 LMNA 2487/4885TSHR 4594/4885ALOX12 2720/4885
US-20180094000-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION TYR, NOD2, AHR LMNA 518/4885TSHR 4124/4885ALOX12 1991/4885
US-11723263-B2 Organic electroluminescent element NR4A3, AFF4, NR4A1 LMNA 784/4885TSHR 2325/4885ALOX12 743/4885
US-20180301629-A1 ORGANIC ELECTROLUMINESCENT ELEMENT LEF1, EPB41L2, EPB41 LMNA 1201/4885TSHR 4003/4885ALOX12 529/4885
US-20210395274-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION ARNT, TYR, NLRP3 LMNA 499/4885TSHR 4586/4885ALOX12 1919/4885

“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.