Toluene

Toluene

SCHEMBL461437

CCCCCCCc1ccc(C)cc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.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 SCHEMBL459639 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL8638308 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994770-B2 Liquid crystal compound having tercyclohexyl, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-06-12 US disclosed
US-20170260453-A1 LIQUID CRYSTAL COMPOUND HAVING TERCYCLOHEXYL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-09-14 US disclosed
US-9611429-B2 Liquid crystal medium, optical device and liquid crystal compound JNC CORPORATION (JP) 2017-04-04 US disclosed
EP-2408728-B1 NOVEL CHRYSENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE COMPOUND CANON KK (JP) 2016-05-25 EP disclosed
US-20160122648-A1 LIQUID CRYSTAL MEDIUM, OPTICAL DEVICE AND LIQUID CRYSTAL COMPOUND JNC CORPORATION (JP) 2016-05-05 US disclosed
EP-2408729-B1 NOVEL BICHRYSENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND CANON KK (JP) 2015-12-16 EP disclosed
CN-102356054-B Novel * compound and the organic luminescent device with this compound CANON KABUSHIKI KAISHA (JP) 2015-08-19 CN disclosed
CN-102348665-B Bichrysene compound and organic light emitting device having compound CANON KK 2014-03-12 CN disclosed
US-8580400-B2 Bichrysene compound and organic light emitting device having the compound CANON KABUSHIKI KAISHA (JP) 2013-11-12 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
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
US-5648547-A Bis-phosphepines and processses for their preparation HOECHST AG (DE) 1997-07-15 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 (1 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-20110272683-A1 NOVEL BICHRYSENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND PPOX, CRY1, OXER1 HTR2A 3770/4885ALDH1A1 414/4885ESR1 119/4885

“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.