Toluene

Toluene

SCHEMBL2976196

Cc1ccccc1.OCCc1ccccn1

nearest known ligand 0.55

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 3/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
RECQL P46063 1/20 0.47
SYK P43405 1/20 0.46
CYP1A2 P05177 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP3A4 P08684 1/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL19232212 0.90 HRH1 (0.59) HRH1HRH3LMNAALDH1A1TAAR1
SCHEMBL31140119 0.88
SCHEMBL24490 0.88
Hydrochloric Acid SCHEMBL945712 0.86 HRH1 (0.59) HRH1HRH3LMNAALDH1A1TAAR1
Water SCHEMBL7380191 0.86 HRH1 (0.59) HRH1HRH3LMNAALDH1A1TAAR1
Methane SCHEMBL3061813 0.86 HRH1 (0.59) HRH1HRH3LMNAALDH1A1TAAR1
Acetic Acid SCHEMBL28615313 0.85 CYP1A2 (0.54) HRH1HRH3LMNAALDH1A1TAAR1
Acetic Acid SCHEMBL28068324 0.84 CYP1A2 (0.53) HRH1HRH3LMNAALDH1A1TAAR1
Piconol SCHEMBL11480832 0.82 HRH1 (0.55) HRH1HRH3LMNAALDH1A1TAAR1
SCHEMBL31438870 0.81 HRH1 (0.53) HRH1HRH3LMNAALDH1A1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1672961-B1 COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEM CORP (JP) 2014-12-03 EP disclosed
EP-2592905-B1 Compound, charge transporting material and organic electroluminescent element MITSUBISHI CHEM CORP (JP) 2014-11-12 EP disclosed
EP-2592905-A1 Compound, charge transporting material and organic electroluminescent element Mitsubishi Chemical Corporation (JP) 2013-05-15 EP disclosed
US-7777043-B2 Compound, charge transporting material and organic electroluminescent element MITSUBISHI CHEMICAL CORPORATION (JP) 2010-08-17 US disclosed
US-20060186796-A1 Compound, charge transporting material and organic electroluminescent element MITSUBISHI CHEMICAL CORPORATION (JP) 2006-08-24 US disclosed
EP-1672961-A1 COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE Mitsubishi Chemical Corporation (JP) 2006-06-21 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 (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-20060186796-A1 Compound, charge transporting material and organic electroluminescent element SLCO4C1, SLC26A3, SLC7A5 HRH1 2239/4885NPSR1 4086/4885HRH3 1507/4885

“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.