Toluene

Toluene

SCHEMBL2399267

Cc1ccccc1.NCCCN

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.61
ALOX12 P18054 1/20 0.61
ACHE P22303 1/20 0.61
KIF11 P52732 8/20 0.55
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KCNH2 Q12809 1/20 0.50
MAOA P21397 1/20 0.48
HTR2A P28223 3/20 0.46
HRH1 P35367 1/20 0.46
TAAR1 Q96RJ0 4/20 0.44
CYP2A6 P11509 2/20 0.44
CYP1A2 P05177 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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 SCHEMBL29163622 0.92 LMNA (0.58) LMNATSHRALOX12ACHEKIF11
Toluene SCHEMBL3861980 0.88 ACHE (0.69) LMNATSHRALOX12ACHEKIF11
Toluene SCHEMBL1989071 0.87 TSHR (0.52) LMNATSHRALOX12ACHEKIF11
Toluene SCHEMBL21981119 0.87 TSHR (0.52) LMNATSHRALOX12ACHEKIF11
Toluene SCHEMBL9480148 0.85 DNM1 (0.52) LMNATSHRALOX12ACHEKIF11
Toluene SCHEMBL8519058 0.85 TSHR (0.50) LMNATSHRALOX12ACHEKIF11
Dodecylamine SCHEMBL20338081 0.84 DNM1 (0.56) LMNATSHRALOX12ACHEKIF11
Toluene SCHEMBL20338086 0.84 DNM1 (0.56) LMNATSHRALOX12ACHEKIF11
Toluene SCHEMBL28891446 0.84 DNM1 (0.56) LMNATSHRALOX12ACHEKIF11
Toluene SCHEMBL4774666 0.82 ACHE (0.69) LMNATSHRALOX12ACHEKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370479-B1 BROMINATED FLAME RETARDANTS AND PRECURSORS THEREFOR ALBEMARLE CORP (US) 2019-03-13 EP disclosed
US-8933159-B2 Brominated flame retardants and precursors therefor ALBEMARLE CORPORATION (US) 2015-01-13 US disclosed
CN-1847325-B Dye composition with a reduced content of starting materials and dyeing process OREAL 2012-09-05 CN disclosed
EP-2370479-A1 BROMINATED FLAME RETARDANTS AND PRECURSORS THEREFOR Albemarle Corporation (US) 2011-10-05 EP disclosed
US-20110224353-A1 Brominated Flame Retardants And Precursors Therefor ALBEMARLE CORPORATION (US) 2011-09-15 US disclosed
WO-2010065468-A1 BROMINATED FLAME RETARDANTS AND PRECURSORS THEREFOR ALBERMARLE CORPORATION (US) 2010-06-10 WO disclosed
EP-1025092-A2 PREPARATION OF ASYMMETRIC CYCLIC UREAS THROUGH A MONOACYLATED DIAMINE INTERMEDIATE Du Pont Pharmaceuticals Company (US) 2000-08-09 EP disclosed
US-6077329-A ADDING SOLUTION OF ALANE-AMINE ADDUCT DISSOLVED IN ORGANIC SOLVENT TO CATALYST-CONTAINING SOLUTION HEATED TO REACTION TEMPERATURE TO DECOMPOSE ALANE INTO ALUMINUM POWDER THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2000-06-20 US disclosed
WO-1999018085-A2 PREPARATION OF ASYMMETRIC CYCLIC UREAS THROUGH A MONOACYLATED DIAMINE INTERMEDIATE Britol-Myers Squibb Pharma Company (US) 1999-04-15 WO disclosed
US-5885321-A CATALYTIC DECOMPLEXING AND REDUCTION TO PRECIPITATE ALUMINUM METAL FROM SOLUTION OF COMPLEXED ALUMINUM HYDRIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1999-03-23 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-20110224353-A1 Brominated Flame Retardants And Precursors Therefor BYSL, NOTUM, HADHB LMNA 1524/4885TSHR 698/4885ALOX12 3031/4885

“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.