Toluene

Toluene

SCHEMBL4089210

CN(C)C(OC(C)(C)C)OC(C)(C)C.Cc1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
ACHE P22303 1/20 0.44
KCNN4 O15554 1/20 0.35
CHRNA7 P36544 1/20 0.34
AOC3 Q16853 1/20 0.32
MAPK1 P28482 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TACR1 P25103 3/20 0.30
CACNA1F O60840 1/20 0.30
CACNA1D Q01668 1/20 0.30
CACNA1S Q13698 1/20 0.30
CACNA1C Q13936 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL134356 0.78
SCHEMBL6782280 0.78
Toluene SCHEMBL28143362 0.71 TSHR (0.61) LMNATSHRALOX12ACHEMAPK1
Toluene SCHEMBL719989 0.71 ACHE (0.61) LMNATSHRALOX12ACHEKCNN4
Toluene SCHEMBL6431364 0.71 ACHE (0.61) LMNATSHRALOX12ACHEMAPK1
Toluene SCHEMBL3958941 0.69 ACHE (0.79) LMNATSHRALOX12ACHEKCNN4
Toluene SCHEMBL6068472 0.69 ACHE (0.58) LMNATSHRALOX12ACHEMAPK1
Toluene SCHEMBL7309310 0.69 TSHR (0.58) LMNATSHRALOX12ACHEMAPK1
Toluene SCHEMBL11594422 0.69 TSHR (0.58) LMNATSHRALOX12ACHEMAPK1
Toluene SCHEMBL28783234 0.67 ACHE (0.73) LMNATSHRALOX12ACHEKCNN4

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
EP-2102211-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS Alantos Pharmaceuticals Holding, Inc. (US) 2009-09-23 EP disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
WO-2008063671-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 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-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 LMNA 2457/4885TSHR 4588/4885ALOX12 1383/4885

“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.