Toluene

Toluene

SCHEMBL459639

CCCCCCCc1ccc(C)cc1.Cc1ccccc1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.57
ALDH1A1 P00352 3/20 0.57
ESR1 P03372 2/20 0.57
ADRA2A P08913 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
TACR2 P21452 2/20 0.57
SLC6A2 P23975 2/20 0.57
SLC6A4 P31645 2/20 0.57
SLC6A3 Q01959 2/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
SHBG P04278 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
HSPD1 P10809 1/20 0.57
ADRB3 P13945 1/20 0.57
HTR2C P28335 1/20 0.57
HSPE1 P61604 1/20 0.57
HIF1A Q16665 1/20 0.57
TST Q16762 1/20 0.57

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 SCHEMBL6856351 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL8592478 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL18334412 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL3864993 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL16863683 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL8638308 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL461437 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL2490583 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL3842230 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL1934541 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11957051-B2 Organic semiconductor mixture and organic optoelectronic device containing the same Raynergy Tek Incorporation (TW) 2024-04-09 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-20230320212-A1 ORGANIC SEMICONDUCTOR MIXTURE AND ORGANIC OPTOELECTRONIC DEVICE CONTAINING THE SAME Raynergy Tek Incorporation (TW) 2023-10-05 US disclosed
CN-111212844-B Dimer compound, material for organic element, organic electroluminescent element, display device, and lighting device 学校法人关西学院 2023-08-25 CN disclosed
WO-2023143605-A1 PROCESS FOR THE SYNTHESIS OF PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2023-08-03 WO disclosed
CN-110049990-B Polycyclic aromatic amino compound, material for organic element, organic electroluminescent element, display device, and lighting device 学校法人关西学院 2022-09-13 CN disclosed
US-20210395274-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2021-12-23 US disclosed
CN-111662314-B Polycyclic aromatic compound or condensation polymer thereof, organic electroluminescent element, display device, and lighting device 学校法人关西学院 2021-10-26 CN disclosed
US-11136341-B2 Polycyclic aromatic compound and light emission layer-forming composition KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2021-10-05 US disclosed
US-10873032-B2 Organic photoelectric conversion element, two-dimensional sensor, image sensor, and imaging apparatus CANON KABUSHIKI KAISHA (JP) 2020-12-22 US disclosed
US-20130272978-A1 DIHYDROXYACETONE MONOETHERS MERCK PATENT GMBH (DE) 2013-10-17 US disclosed
US-8337718-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2012-12-25 US disclosed
CN-102356054-A Novel chrysene compound and organic light-emitting device having the compound CANON KK 2012-02-15 CN disclosed
CN-102348665-A Novel bichrysene compound and organic light emitting device having the compound CANON KK 2012-02-08 CN disclosed
EP-2408728-A1 NOVEL CHRYSENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE COMPOUND Canon Kabushiki Kaisha (JP) 2012-01-25 EP disclosed
EP-2408729-A1 NOVEL BICHRYSENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND Canon Kabushiki Kaisha (JP) 2012-01-25 EP disclosed
US-20110272683-A1 NOVEL BICHRYSENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2011-11-10 US disclosed
US-20110180756-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-07-28 US disclosed
WO-2010107097-A1 NOVEL BICHRYSENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2010-09-23 WO disclosed
WO-2010107037-A1 NOVEL CHRYSENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2010-09-23 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 (9 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-20230320212-A1 ORGANIC SEMICONDUCTOR MIXTURE AND ORGANIC OPTOELECTRONIC DEVICE CONTAINING THE SAME OSTC, NONO, OR10J3 HTR2A 3833/4885ALDH1A1 3861/4885ESR1 2274/4885
US-11807656-B2 Polycyclic aromatic compound and light emission layer-forming composition ARNT, TYR, NLRP3 HTR2A 1902/4885ALDH1A1 2119/4885ESR1 1356/4885
US-10873032-B2 Organic photoelectric conversion element, two-dimensional sensor, image sensor, and imaging apparatus POU2F1, PPOX, POU2F2 HTR2A 4507/4885ALDH1A1 1143/4885ESR1 22/4885
US-20110180756-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LASP1, VCL, NLK HTR2A 1210/4885ALDH1A1 3939/4885ESR1 3084/4885
US-11136341-B2 Polycyclic aromatic compound and light emission layer-forming composition TYR, NOD2, AHR HTR2A 1186/4885ALDH1A1 2965/4885ESR1 788/4885
US-20110272683-A1 NOVEL BICHRYSENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND PPOX, CRY1, OXER1 HTR2A 3770/4885ALDH1A1 414/4885ESR1 119/4885
US-20130272978-A1 DIHYDROXYACETONE MONOETHERS GNPAT, UGT1A7, UGT1A3 HTR2A 965/4885ALDH1A1 27/4885ESR1 386/4885
US-11957051-B2 Organic semiconductor mixture and organic optoelectronic device containing the same OSTC, NONO, OR10J3 HTR2A 3833/4885ALDH1A1 3861/4885ESR1 2274/4885
US-20210395274-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION ARNT, TYR, NLRP3 HTR2A 1902/4885ALDH1A1 2119/4885ESR1 1356/4885

“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.