Toluene

Toluene

SCHEMBL3842230

CCCCCCc1ccc(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 SCHEMBL461437 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL2490583 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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230106096-A1 COMPOUND, LIGHT-EMITTING MATERIAL, DELAYED FLUORESCENCE MATERIAL, AND ORGANIC OPTICAL DEVICE KYULUX, INC. (JP) 2023-04-06 US disclosed
EP-1598879-B1 LUMINESCENCE DEVICE, DISPLAY APPARATUS AND METAL COORDINATION COMPOUND CANON KK (JP) 2015-12-02 EP disclosed
EP-1191612-B1 Luminescence device and display apparatus CANON KK (JP) 2009-09-09 EP disclosed
EP-2062907-A2 Metal coordination compound, luminescence device and display apparatus Canon Kabushiki Kaisha (JP) 2009-05-27 EP disclosed
US-7534506-B2 Luminescence device, display apparatus and metal coordination compound CANON KABUSHIKI KAISHA (JP) 2009-05-19 US disclosed
EP-1191614-B1 Luminescence device and metal coordination compound therefor CANON KK (JP) 2009-05-06 EP disclosed
US-7220495-B2 Luminescence device, display apparatus and metal coordination compound CANON KABUSHIKI KAISHA (JP) 2007-05-22 US disclosed
US-7205054-B2 Metal coordination compound, luminescence device and display apparatus CANON KABUSHIKI KAISHA (JP) 2007-04-17 US disclosed
US-20060142384-A1 2-Oxyamino-1-cyclopentene-1-nitriles as material protective agents LANXESS DEUTSCHLAND GMBH (DE) 2006-06-29 US disclosed
US-7026062-B2 Luminescence device, display apparatus and metal coordination compound CANON KABUSHIKI KAISHA (JP) 2006-04-11 US disclosed
US-5422038-A Ferroelectric liquid crystal material with sufficient spontaneous polarization, high speed response capability, wide temperature range SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-06-06 US disclosed
US-5389293-A Light switches SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-02-14 US disclosed
EP-0458320-B1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1995-01-04 EP disclosed
EP-0416946-B1 Optically active naphthalene derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL CO (JP) 1994-11-09 EP disclosed
EP-0395390-B1 Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL CO (JP) 1994-09-28 EP disclosed
US-5188762-A Ferroelectric liquid crystal with high response speed and small temperature dependence CANON KABUSHIKI KAISHA (JP) 1993-02-23 US disclosed
EP-0458320-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1991-11-27 EP disclosed
EP-0416946-A2 Optically active naphthalene derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-03-13 EP disclosed
EP-0395390-A1 Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-31 EP disclosed
EP-0360622-A2 Novel optically active benzene derivatives, process for producing the same and liquid-crystalline composition containing said derivatives as liquid-crystalline compound and light switching elements SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-03-28 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 (2 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-20230106096-A1 COMPOUND, LIGHT-EMITTING MATERIAL, DELAYED FLUORESCENCE MATERIAL, AND ORGANIC OPTICAL DEVICE LTB4R2, LTB4R, ALOX5 HTR2A 165/4885ALDH1A1 963/4885ESR1 163/4885
US-20060142384-A1 2-Oxyamino-1-cyclopentene-1-nitriles as material protective agents NOS1, CBR1, NOS2 HTR2A 3257/4885ALDH1A1 97/4885ESR1 3585/4885

“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.