Toluene

Toluene

SCHEMBL4779666

C1CCOOC1.CO.Cc1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
ACHE P22303 3/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
ORAI1 Q96D31 4/20 0.39
ORAI2 Q96SN7 4/20 0.39
ORAI3 Q9BRQ5 4/20 0.39
TRPV6 Q9H1D0 4/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
HPGD P15428 3/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 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 SCHEMBL4734054 0.98 LMNA (0.50) LMNAACHETSHRALOX12ORAI1
Toluene SCHEMBL735933 0.95 ACHE (0.58) LMNAACHETSHRALOX12ORAI1
Toluene SCHEMBL1308696 0.89 LMNA (0.46) LMNAACHETSHRALOX12ORAI1
Toluene SCHEMBL1718753 0.86 LMNA (0.52) LMNAACHETSHRALOX12ORAI1
Toluene SCHEMBL27542416 0.80 LMNA (0.58) LMNAACHETSHRALOX12ORAI1
Toluene SCHEMBL9640920 0.80 LMNA (0.58) LMNAACHETSHRALOX12ORAI1
Toluene SCHEMBL9640890 0.80 LMNA (0.58) LMNAACHETSHRALOX12ORAI1
Toluene SCHEMBL190031 0.80 LMNA (0.58) LMNAACHETSHRALOX12ORAI1
Toluene SCHEMBL3710402 0.80 LMNA (0.37) LMNAACHETSHRALOX12ORAI1
Toluene SCHEMBL9672173 0.79 ACHE (0.85) LMNAACHETSHRALOX12CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008071765-A1 PHARMACEUTICALLY ACTIVE SPIRO-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2008-06-19 WO disclosed
WO-2008015196-A1 5-,7-BIS-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINES NYCOMED GMBH (DE) 2008-02-07 WO disclosed
US-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
EP-1575924-A1 4-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION ALTANA Pharma AG (DE) 2005-09-21 EP disclosed
WO-2004054984-A1 4-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION ALTANA PHARMA AG (DE) 2004-07-01 WO 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-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion GIPR, VIP, SI LMNA 4583/4885ACHE 675/4885TSHR 988/4885

“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.