Toluene

Toluene

SCHEMBL2589614

Cc1ccc(CCO)cc1.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 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 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116217410-A Diamine derivative and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2023-06-06 CN disclosed
CN-116143739-A Diamine compound and organic light-emitting device thereof 长春海谱润斯科技股份有限公司 2023-05-23 CN disclosed
CN-116063188-A Diamine derivative and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2023-05-05 CN disclosed
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
US-9611429-B2 Liquid crystal medium, optical device and liquid crystal compound JNC CORPORATION (JP) 2017-04-04 US disclosed
CN-104402928-B Novel chirality dibenzothiophene framework diphosphine ligand and synthetizing method thereof 河南科技学院 2017-03-22 CN disclosed
US-20160122648-A1 LIQUID CRYSTAL MEDIUM, OPTICAL DEVICE AND LIQUID CRYSTAL COMPOUND JNC CORPORATION (JP) 2016-05-05 US disclosed
CN-105315463-A Diamin, polyamic acid or derivative thereof, liquid crystal aligning agent, liquid crystal aligning film and liquid crystal display element JNC PETROCHEMICAL CORP 2016-02-10 CN disclosed
US-9070885-B2 Anthracene compound and organic electroluminescence element using same JNC CORPORATION (JP) 2015-06-30 US disclosed
EP-2669262-A1 NOVEL ANTHRACENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME JNC Corporation (JP) 2013-12-04 EP disclosed
US-20130292665-A1 NOVEL ANTHRACENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME JNC CORPORATION (JP) 2013-11-07 US disclosed
CN-103328420-A Novel anthracene compound and organic electroluminescence element using same JNC CORP 2013-09-25 CN disclosed
US-20110269994-A1 METHOD OF PRODUCING A TRIARYLAMINE COMPOUND FUJIFILM CORPORATION (JP) 2011-11-03 US disclosed
EP-1897928-B1 Chlorofluorobenzene liquid crystal compound, liquid crystal composition and liquid crystal display device CHISSO CORP (JP) 2010-10-27 EP disclosed
US-7695777-B2 cyclohexenylene compounds which have a phenylene ring both fluoro and chloro substituted; wide temperature range; heat and light stable; small viscosity, large optical anisotropy; suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds; short response times CHISSON CORPORATION (JP) 2010-04-13 US disclosed
US-20080075891-A1 cyclohexenylene compounds which have a phenylene ring both fluoro and chloro substituted; wide temperature range; heat and light stable; small viscosity, large optical anisotropy; suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds; short response times CHISSO CORPORATION 2008-03-27 US disclosed
EP-1897928-A1 Chlorofluorobenzene liquid crystal compound, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2008-03-12 EP disclosed
US-5202464-A Chemical intermediates for antibiotics, e.g Streptomycin, anticarcinogenic agents and agriculture chemicals; tetraacetyl-O-methyl-deoxyacetamido-chiral-inositols THE YOKOHAMA RUBBER CO., LTD. (JP) 1993-04-13 US disclosed
EP-0452845-A2 Optically active aminocyclitols THE YOKOHAMA RUBBER CO., LTD. (JP) 1991-10-23 EP 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 (2 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-20110269994-A1 METHOD OF PRODUCING A TRIARYLAMINE COMPOUND AADAC, PNMT, INMT TDP1 1135/4885L3MBTL1 1546/4885LMNA 4599/4885
US-20080075891-A1 cyclohexenylene compounds which have a phenylene ring both fluoro and chloro substituted; wide temperature range; heat and light stable; small viscosity, large optical anisotropy; suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds; short response times CNKSR1, CLCN2, LEF1 TDP1 2352/4885L3MBTL1 1468/4885LMNA 295/4885

“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.