Toluene

Toluene

SCHEMBL1434902

Cc1ccc(CO)cc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
LMNA P02545 2/20 0.55
ALOX12 P18054 1/20 0.55
ACHE P22303 1/20 0.55
LTA4H P09960 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IDO1 P14902 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HTT P42858 1/20 0.43
CYP2C19 P33261 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 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 SCHEMBL8444299 1.00 TSHR (0.62) TSHRLMNAALOX12ACHELTA4H
Toluene SCHEMBL2059470 1.00 TSHR (0.62) TSHRLMNAALOX12ACHELTA4H
Toluene SCHEMBL3690502 1.00 TSHR (0.62) TSHRLMNAALOX12ACHELTA4H
Toluene SCHEMBL8437863 1.00 TSHR (0.62) TSHRLMNAALOX12ACHELTA4H
Toluene SCHEMBL6529015 1.00 TSHR (0.62) TSHRLMNAALOX12ACHELTA4H
Toluene SCHEMBL10802361 1.00 TSHR (0.62) TSHRLMNAALOX12ACHELTA4H
Toluene SCHEMBL10600522 1.00 TSHR (0.62) TSHRLMNAALOX12ACHELTA4H
Benzyl Alcohol SCHEMBL28267540 0.95 TSHR (0.70) TSHRLMNAALOX12ACHELTA4H
Benzyl Alcohol SCHEMBL8776781 0.92 TSHR (0.74) TSHRLMNAALOX12ACHELTA4H
P-Xylene SCHEMBL27953211 0.92 TSHR (0.74) TSHRLMNAALOX12ACHELTA4H

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113788759-B Triarylamine compound containing fluorene group and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2024-01-26 CN disclosed
CN-114394949-B Benzidine derivative and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2023-11-10 CN disclosed
CN-114394949-A Biphenylamine derivative and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2022-04-26 CN disclosed
CN-113788759-A Triarylamine compound containing fluorene group and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2021-12-14 CN disclosed
EP-2382226-B1 PROCESS FOR THE SYNTHESIS OF L-FUCOSYL DI- OR OLIGOSACCHARIDES AND NOVEL 2,3,4 TRIBENZYL-FUCOSYL DERIVATIVES INTERMEDIATES THEREOF INALCO SPA (IT) 2013-12-04 EP disclosed
EP-2382226-A2 PROCESS FOR THE SYNTHESIS OF L-FUCOSYL DI- OR OLIGOSACCHARIDES AND NOVEL 2,3,4 TRIBENZYL-FUCOSYL DERIVATIVES INTERMEDIATES THEREOF Inalco S.p.A. (IT) 2011-11-02 EP disclosed
US-20110245488-A1 PROCESS FOR THE SYNTHESIS OF L-FUCOSYL DI- OR OLIGO-SACCHARIDES AND NOVEL 2,3,4 TRIBENZYL-FUCOSYL DERIVATIVES INTERMEDIATES THEREOF INALCO S.P.A. (IT) 2011-10-06 US disclosed
EP-1330682-B1 TONER,PRODUCTION PROCESS THEREOF, AND PROCESS FOR FORMING IMAGE ZEON CORP (JP) 2011-03-30 EP disclosed
WO-2010070616-A2 PROCESS FOR THE SYNTHESIS OF L-FUCOSYL DI- OR OLIGOSACCHARIDES AND NOVEL 2,3,4 TRIBENZYL-FUCOSYL DERIVATIVES INTERMEDIATES THEREOF INALCO S.P.A. (IT) 2010-06-24 WO disclosed
US-7422833-B2 Toner, production process thereof, and process for forming image ZEON CORPORATION (JP) 2008-09-09 US disclosed
US-7147979-B2 Toner for developing electrostatic image ZEON CORPORATION (JP) 2006-12-12 US disclosed
US-20040185363-A1 Toner for developing electrostatic image ZEON CORPORATION (JP) 2004-09-23 US disclosed
US-4721825-A METHYLATION OF BENZENE WITH FLUORINE CATALYSTS IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-01-26 US disclosed
US-4423244-A Process for the preparation of the d-2-(6-methoxy-2-naphthyl)-propionic acid ALFA CHEMICALS ITALIANA S.P.A. (IT) 1983-12-27 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 (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-20110245488-A1 PROCESS FOR THE SYNTHESIS OF L-FUCOSYL DI- OR OLIGO-SACCHARIDES AND NOVEL 2,3,4 TRIBENZYL-FUCOSYL DERIVATIVES INTERMEDIATES THEREOF FUCA2, FUT5, FUT6 TSHR 2625/4885LMNA 3439/4885ALOX12 1852/4885

“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.