Toluene

Toluene

SCHEMBL1120065

Cc1ccc(CCO)cc1.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 SCHEMBL5494793 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2669262-B1 NOVEL ANTHRACENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME JNC CORP (JP) 2018-03-07 EP disclosed
CN-103328420-B Anthracene compound and use its organic electroluminescent element, luminescent layer material, display device and lighting device 捷恩智株式会社 2017-08-11 CN disclosed
CN-104379572-B Benzo [a] carbazole compound, electron transport materials and use its organic electric-field light-emitting element 捷恩智株式会社 2016-09-21 CN disclosed
CN-104040747-B Luminescent layer material, use its organic electric-field light-emitting element, display device and illuminator 捷恩智株式会社 2016-08-24 CN disclosed
CN-102675032-B 2,7-dianthracene base naphthalene compounds, luminescent layer material, organic electroluminescent device, display device and illuminator 捷恩智株式会社 2016-08-03 CN disclosed
CN-102659504-B Organic electric-field light-emitting element, display unit and lighting device JNC CORPORATION (JP) 2016-05-04 CN disclosed
US-9099654-B2 Benzofluorene compound, emission materials and organic electroluminescent device JNC CORPORATION (JP) 2015-08-04 US disclosed
US-9070885-B2 Anthracene compound and organic electroluminescence element using same JNC CORPORATION (JP) 2015-06-30 US disclosed
CN-104379572-A Electron transport material and organic electroluminescent element using same JNC CORP 2015-02-25 CN disclosed
CN-104040747-A Material for light emitting layers and organic electroluminescent element using same JNC CORP 2014-09-10 CN disclosed
US-20130134405-A1 BENZOFLUORENE COMPOUND, EMISSION MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE JNC CORPORATION (JP) 2013-05-30 US disclosed
EP-2280954-B1 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 UNIV SAARLAND (DE) 2013-03-27 EP disclosed
CN-102675032-A 2,7-bis-anthracene naphthalene compound, light emitting layer material, organic electroluminescent element, display device and lighting device CHISSO CORP 2012-09-19 CN disclosed
CN-102659504-A Emission layer material, organic electroluminescence element, display device and lighting device JNC CORP 2012-09-12 CN disclosed
US-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-19 US disclosed
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-12 US disclosed
EP-2280954-A1 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 Universität des Saarlandes (DE) 2011-02-09 EP disclosed
WO-2009135651-A1 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 UNIVERSITÄT SAARLANDES (DE) 2009-11-12 WO disclosed
US-20080160347-A1 Benzofluorene compound, emission materials and organic electroluminescent device JNC CORPORATION (JP) 2008-07-03 US disclosed
US-4389331-A Process for preparing pharmaceutically active compound-containing microcapsules TANABE SEIYAKU CO., LTD. (JP) 1983-06-21 US 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 (3 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-20080160347-A1 Benzofluorene compound, emission materials and organic electroluminescent device LEF1, TRPA1, BRD8 TDP1 2553/4885L3MBTL1 2002/4885LMNA 1043/4885
US-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 HSD11B1, HSD11B2, CYP4A11 TDP1 2651/4885L3MBTL1 4746/4885LMNA 1359/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 TDP1 1933/4885L3MBTL1 4814/4885LMNA 1178/4885

“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.