Toluene

Toluene

SCHEMBL2904564

Cc1ccccc1.N.N.O=S(=O)(O)O

nearest known ligand 0.61

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Toluene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
TSHR P16473 2/20 0.61
ALOX12 P18054 2/20 0.61
ACHE P22303 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
RECQL P46063 1/20 0.42
HSD11B1 P28845 1/20 0.42
HTT P42858 2/20 0.42
GAA P10253 3/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 3/20 0.41

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 SCHEMBL3670161 1.00 LMNA (0.61) LMNATSHRALOX12ACHESMN1; SMN2
Toluene SCHEMBL248686 0.97 LMNA (0.65) LMNATSHRALOX12ACHESMN1; SMN2
Toluene SCHEMBL11123126 0.97 LMNA (0.65) LMNATSHRALOX12ACHESMN1; SMN2
Toluene SCHEMBL5070324 0.94 LMNA (0.61) LMNATSHRALOX12ACHESMN1; SMN2
Toluene SCHEMBL28219186 0.94 LMNA (0.61) LMNATSHRALOX12ACHESMN1; SMN2
Toluene SCHEMBL6518753 0.94 LMNA (0.61) LMNATSHRALOX12ACHESMN1; SMN2
Toluene SCHEMBL3973760 0.94 LMNA (0.61) LMNATSHRALOX12ACHESMN1; SMN2
Toluene SCHEMBL28004549 0.94 LMNA (0.61) LMNATSHRALOX12ACHESMN1; SMN2
Toluene SCHEMBL7627695 0.94 LMNA (0.61) LMNATSHRALOX12ACHESMN1; SMN2
Toluene SCHEMBL27784842 0.94 LMNA (0.61) LMNATSHRALOX12ACHESMN1; SMN2

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106318145-B A kind of polyester-type water-based emulsion, preparation method and applications 中国乐凯集团有限公司 2019-02-01 CN claimed
CN-106318145-A Polyester type water-borne emulsion, preparing method and application thereof 中国乐凯集团有限公司 2017-01-11 CN claimed
CN-104151589-A Method for preparing low-haze polyester film SUZHOU XILIN OPTOELECTRONICS TECHNOLOGY INDUSTRY CO LTD 2014-11-19 CN claimed
EP-4710913-A2 METHOD AND APPARATUS FOR DYEING HAIR FIBRES USING RADIO FREQUENCY ELECTROMAGNETIC RADIATION Jemella Limited (GB) 2026-03-18 EP disclosed
EP-3727307-B1 METHOD AND APPARATUS FOR DYEING HAIR FIBRES USING RADIO FREQUENCY ELECTROMAGNETIC RADIATION JEMELLA LTD (GB) 2026-01-28 EP disclosed
US-11872295-B2 Method and apparatus for dyeing hair fibres using radio frequency electromagnetic radiation JEMELLA LIMITED (GB) 2024-01-16 US disclosed
CN-112778475-B Phenolic resin for aqueous adhesive and preparation method thereof KCC公司 2023-12-29 CN disclosed
CN-116410505-A Printable substrate and coating composition for printing 南亚塑胶工业股份有限公司 2023-07-11 CN disclosed
US-20230203333-A1 PRINTABLE SUBSTRATE AND COATING COMPOSITION FOR PRINTING NAN YA PLASTICS CORPORATION (TW) 2023-06-29 US disclosed
US-20230181429-A1 METHOD AND APPARATUS FOR DYEING HAIR FIBRES USING RADIO FREQUENCY ELECTROMAGNETIC RADIATION JEMELLA LIMITED (GB) 2023-06-15 US disclosed
CN-108424713-B Surfactant for workpiece, preparation method and workpiece surface spraying type pretreatment method 佛山科富科技有限公司 2020-07-28 CN disclosed
US-20090114237-A1 AIR OXIDATION HAIR DYE APPLICATION SYSTEM AND METHOD FOR COLORING HAIR USING THE SAME COMBE INCORPORATED (US) 2009-05-07 US disclosed
WO-2009058700-A2 AIR OXIDATION HAIR DYE APPLICATION SYSTEM AND METHOD FOR COLORING HAIR USING THE SAME COMBE INTERNATIONAL LTD. (US) 2009-05-07 WO disclosed
US-7476679-B2 Octahydroisoquinoline compounds as opioid receptor modulators RESEARCH TRIANGLE INSTITUTE (US) 2009-01-13 US disclosed
EP-1906962-A2 OCTAHYDROISOQUINOLINE COMPOUNDS AS OPIOID RECEPTOR MODULATORS RESEARCH TRIANGLE INSTITUTE (US) 2008-04-09 EP disclosed
CN-101134865-A Aqueous coating liquid composition for optical polyester film NANYA PLASTICS CORP (CN) 2008-03-05 CN disclosed
US-20070027182-A1 Octahydroisoquinoline compounds as opioid receptor modulators RESEARCH TRIANGLE INSTITUTE (US) 2007-02-01 US disclosed
WO-2007014263-A2 OCTAHYDROISOQUINOLINE COMPOUNDS AS OPIOID RECEPTOR MODULATORS RESEARCH TRIANGLE INSTITUTE (US) 2007-02-01 WO disclosed
US-6638882-B1 Coating glass fiber with resole resin binder composition including catalyst comprising salt formed from ammonia and arylsulfonic acid, heating and compressing to produce molded fiber glass composition having enhanced thermal stability KNAUF FIBER GLASS GMBH 2003-10-28 US disclosed
US-6555616-B1 Binder of an aqueous solution of a resole resin, a catalyst of an ammonia salt of an aryl sulfonic acid , and binder modifiers; shorter cure rate KNAUF FIBER GLASS GMBH 2003-04-29 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-20230181429-A1 METHOD AND APPARATUS FOR DYEING HAIR FIBRES USING RADIO FREQUENCY ELECTROMAGNETIC RADIATION DNMT1, CUTA, RAD1 LMNA 642/4885TSHR 2048/4885ALOX12 4692/4885
US-11872295-B2 Method and apparatus for dyeing hair fibres using radio frequency electromagnetic radiation DNMT1, CUTA, RAD1 LMNA 642/4885TSHR 2048/4885ALOX12 4692/4885
US-20070027182-A1 Octahydroisoquinoline compounds as opioid receptor modulators OPRL1, OPRM1, OPRK1 LMNA 4808/4885TSHR 403/4885ALOX12 1592/4885

“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.