Toluene

Toluene

SCHEMBL5776784

CC(C)=O.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.69
TSHR P16473 1/20 0.69
ALOX12 P18054 1/20 0.69
ACHE P22303 1/20 0.69
CES2 O00748 3/20 0.56
CES1 P23141 3/20 0.56
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 2/20 0.46
AKR1C3 P42330 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
SRD5A2 P31213 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
Toluene SCHEMBL27411160 1.00 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL4662740 1.00 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL27482878 1.00 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL9815765 1.00 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL10941235 1.00 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL9176449 1.00 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL9689391 1.00 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL19715122 1.00 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL10604374 1.00 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL115541 1.00 LMNA (0.69) LMNATSHRALOX12ACHECES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116331-A1 Glycosylceramide analogues BIOMIRA, INC. (CA) 2006-06-01 US disclosed
EP-1572114-A2 GLYCOSYLCERAMIDE ANALOGUES BIOMIRA, INC. (CA) 2005-09-14 EP disclosed
WO-2004028475-A2 GLYCOSYLCERAMIDE ANALOGUES BIOMIRA, INC. (CA) 2004-04-08 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-20060116331-A1 Glycosylceramide analogues UGCG, ASAH2, GBA2 LMNA 4092/4885TSHR 1711/4885ALOX12 1735/4885

“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.