Toluene

Toluene

SCHEMBL3456475

COC(C)OC.Cc1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.58
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
ALOX12 P18054 1/20 0.58
CA4 P22748 2/20 0.38
HPGD P15428 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
THRB P10828 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
PKM P14618 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
CA12 O43570 1/20 0.33

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 SCHEMBL3455474 0.87 LMNA (0.44) ACHELMNATSHRALOX12KEAP1
P-Xylene SCHEMBL828120 0.86 ACHE (0.50) ACHELMNATSHRALOX12TDP1
Toluene SCHEMBL9720129 0.82 LMNA (0.39) ACHELMNATSHRALOX12KEAP1
Toluene SCHEMBL4171207 0.81 ACHE (0.61) ACHELMNATSHRALOX12CA4
Toluene SCHEMBL9799867 0.80 ACHE (0.79) ACHELMNATSHRALOX12CA4
Benzene SCHEMBL3361615 0.80 THRB (0.30) CA4THRB
Toluene SCHEMBL8572276 0.79 LMNA (0.58) ACHELMNATSHRALOX12CA4
Toluene SCHEMBL8844853 0.77 ACHE (0.73) ACHELMNATSHRALOX12HPGD
Toluene SCHEMBL7645369 0.76
Toluene SCHEMBL8824270 0.76 ACHE (1.00) ACHELMNATSHRALOX12HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119354-A1 DIAMINO-SUBSTITUTED PYRIDINES AND PYRIMIDINES AS HERBICIDES FMC CORP (US) 2022-04-21 US disclosed
EP-3917914-A1 DIAMINO-SUBSTITUTED PYRIDINES AND PYRIMIDINES AS HERBICIDES FMC CORPORATION (US) 2021-12-08 EP disclosed
WO-2020160202-A1 DIAMINO-SUBSTITUTED PYRIDINES AND PYRIMIDINES AS HERBICIDES FMC CORPORATION (US) 2020-08-06 WO disclosed
CN-105593206-B Hole mobile material 默克专利有限公司 2017-10-10 CN disclosed
CN-106220482-A Aromatic compound containing side chain 味之素株式会社 2016-12-14 CN disclosed
US-8273744-B2 AMPK modulators MERCURY THERAPEUTICS, INC. (US) 2012-09-25 US disclosed
EP-2240016-A1 AMPK MODULATORS Mercury Therapeutics, Inc. (US) 2010-10-20 EP disclosed
US-20100009992-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. 2010-01-14 US disclosed
WO-2009100130-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
EP-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 EP disclosed
WO-1998052915-A2 LEUKOTRIENE B4 DERIVATIVES, IN PARTICULAR OXIMO-LTB4 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-11-26 WO disclosed
WO-1998052916-A1 NOVEL LEUKOTRIENE-B DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1998-11-26 WO disclosed
US-5401762-A Treatment of high blood pressure, Parkinson*s disease, schizophrenia, dopamine receptors BASF AKTIENGESELLSCHAFT (DE) 1995-03-28 US disclosed
US-5164388-A Hypotensive agents, treatment of congestive heart failure ABBOTT LABORATORIES (US) 1992-11-17 US disclosed
EP-0439556-A4 HETEROCYCLIC PEPTIDE RENIN INHIBITORS 1991-10-30 EP disclosed
EP-0439556-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
WO-1990004917-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-05-17 WO disclosed
EP-0365992-A1 Heterocyclic peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-05-02 EP disclosed
US-4847377-A ANTIHYPERPROLIFERATIVE SKIN DISEASES SCHERING CORPORATION (US) 1989-07-11 US disclosed
US-4816458-A TOPICAL ADMINISTERING SCHERING CORPORATION (US) 1989-03-28 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 (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-20220119354-A1 DIAMINO-SUBSTITUTED PYRIDINES AND PYRIMIDINES AS HERBICIDES DDX41, AOC1, DPYD ACHE 413/4885LMNA 4417/4885TSHR 1458/4885
US-20100009992-A1 AMPK MODULATORS PRKAG1, PRKAG2, PRKAG3 ACHE 3859/4885LMNA 4131/4885TSHR 1172/4885

“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.