Toluene

Toluene

SCHEMBL5595092

Cc1ccccc1.ClCCl.ClCCl.ClCCl

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.73
LMNA P02545 3/20 0.73
TSHR P16473 3/20 0.73
ALOX12 P18054 1/20 0.73
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP2C19 P33261 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37

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 SCHEMBL330032 1.00 ACHE (0.73) ACHELMNATSHRALOX12POLB
Toluene SCHEMBL11448382 1.00 ACHE (0.73) ACHELMNATSHRALOX12POLB
Toluene SCHEMBL28673606 0.94 ACHE (0.65) ACHELMNATSHRALOX12POLB
Toluene SCHEMBL5671767 0.94 ACHE (0.65) ACHELMNATSHRALOX12POLB
Toluene SCHEMBL8213424 0.91 ACHE (0.61) ACHELMNATSHRALOX12POLB
Toluene SCHEMBL8979310 0.91 ACHE (0.61) ACHELMNATSHRALOX12POLB
Toluene SCHEMBL2063451 0.90 ACHE (0.69) ACHELMNATSHRALOX12POLB
Toluene SCHEMBL8845007 0.90 ACHE (0.69) ACHELMNATSHRALOX12POLB
Toluene SCHEMBL9410087 0.89 LMNA (0.58) ACHELMNATSHRALOX12POLB
Toluene SCHEMBL7463284 0.87 LMNA (0.55) ACHELMNATSHRALOX12POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809492-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-01-24 EP disclosed
US-20020128321-A1 IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-09-12 US disclosed
US-6211373-B1 Phenyl urea antagonists of the IL-8 receptor SMITHKLINE BEECHAM CORPORATION 2001-04-03 US disclosed
US-6180675-B1 THERAPY FOR CHEMOKINE SENSITIVE DISEASE; USING A AROMATIC (THIO)UREA COMPOUND SMITHKLINE BEECHAM CORPORATION 2001-01-30 US disclosed
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US disclosed
US-5886044-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-03-23 US disclosed
US-5780483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 US disclosed
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1996025157-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-22 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-20020128321-A1 IL-8 receptor antagonists CXCL8, CCR8, IL1RN ACHE 4770/4885LMNA 4366/4885TSHR 1009/4885

“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.