Toluene

Toluene

SCHEMBL5494793

Cc1ccc(CCO)cc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
ACHE P22303 1/20 0.50
CA2 P00918 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2A6 P11509 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
PLAAT3 P53816 2/20 0.45
PLAAT5 Q96KN8 2/20 0.45
PLAAT2 Q9NWW9 2/20 0.45
PLAAT4 Q9UL19 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
POLB P06746 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 SCHEMBL2589614 1.00 TDP1 (0.65) TDP1L3MBTL1LMNATSHRALOX12
Toluene SCHEMBL1350443 1.00 TDP1 (0.65) TDP1L3MBTL1LMNATSHRALOX12
Toluene SCHEMBL9501175 1.00 TDP1 (0.65) TDP1L3MBTL1LMNATSHRALOX12
Toluene SCHEMBL1290122 1.00 TDP1 (0.65) TDP1L3MBTL1LMNATSHRALOX12
Toluene SCHEMBL9412512 1.00 TDP1 (0.65) TDP1L3MBTL1LMNATSHRALOX12
Toluene SCHEMBL9787341 1.00 TDP1 (0.65) TDP1L3MBTL1LMNATSHRALOX12
Toluene SCHEMBL1120065 1.00 TDP1 (0.65) TDP1L3MBTL1LMNATSHRALOX12
Toluene SCHEMBL3692883 1.00 TDP1 (0.65) TDP1L3MBTL1LMNATSHRALOX12
Phenylethyl Alcohol SCHEMBL28099020 0.95 TDP1 (0.73) TDP1L3MBTL1LMNATSHRALOX12
Phenylethyl Alcohol SCHEMBL5675914 0.93 TDP1 (0.76) TDP1L3MBTL1LMNATSHRALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100475787-C Benzoylsulfonamides and sulfonylbenzamidines for use as antitumour agents LILLY CO ELI (US) 2009-04-08 CN disclosed
US-7183320-B2 Benzoylsulfonamides and sulfonylbenzamidines for use as antitumour agents ELI LILLY AND COMPANY (US) 2007-02-27 US disclosed
EP-1401806-B1 BENZOYLSULFONAMIDES AND SULFONYLBENZAMIDINES FOR USE AS ANTITUMOUR AGENTS LILLY CO ELI (US) 2006-08-09 EP disclosed
CN-1557797-A Process for preparing bisphenol compounds with long side-chain 延边大学 2004-12-29 CN disclosed
US-20040157741-A1 Benzoylsulfonamides and sulfonylbenzamidines for use as antitumour agents ELI LILLY AND COMPANY 2004-08-12 US disclosed
CN-1514824-A Benzoylsulfonamides and sulfonylbenzamidines for use as antitumour agents 2004-07-21 CN disclosed
EP-1401806-A1 BENZOYLSULFONAMIDES AND SULFONYLBENZAMIDINES FOR USE AS ANTITUMOUR AGENTS ELI LILLY AND COMPANY (US) 2004-03-31 EP disclosed
WO-2002098848-A1 BENZOYLSULFONAMIDES AND SULFONYLBENZAMIDINES FOR USE AS ANTITUMOUR AGENTS ELI LILLY AND COMPANY (US) 2002-12-12 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-20040157741-A1 Benzoylsulfonamides and sulfonylbenzamidines for use as antitumour agents GLS2, GLS, MCL1 TDP1 2252/4885L3MBTL1 2686/4885LMNA 3670/4885

“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.