Toluene

Toluene

SCHEMBL1159815

CCOC(C)=O.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ LMNA P02545 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ TSHR P16473 3/20 0.52
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ PIN1 Q13526 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ RAB9A P51151 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ RECQL P46063 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 SCHEMBL4248351 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL1996289 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL1532531 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL6346934 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL510300 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL1077296 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL8554033 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL414372 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL21490912 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL856707 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220256902-A1 NOVEL STEVIOL GLYCOSIDE, METHOD FOR PRODUCING SAME, AND SWEETENER COMPOSITION CONTAINING SAME SUNTORY HOLDINGS LIMITED (JP) 2022-08-18 — — US disclosed
EP-4011214-A1 BEVERAGE HAVING FOAM RETENTIVITY AND METHOD FOR IMPROVING FOAM RETENTIVITY OF BEVERAGE Suntory Holdings Limited (JP) 2022-06-15 — — EP disclosed
EP-4006046-A1 NOVEL STEVIOL GLYCOSIDE, METHOD FOR PRODUCING SAME, AND SWEETENER COMPOSITION CONTAINING SAME Suntory Holdings Limited (JP) 2022-06-01 — — EP disclosed
EP-4005371-A1 PLANT BODY CONTAINING NOVEL STEVIOL GLYCOSIDE Suntory Holdings Limited (JP) 2022-06-01 — — EP disclosed
CN-114269766-A Novel steviol glycoside, method for producing same, and sweetener composition containing same 三得利控股株式会社 2022-04-01 — — CN disclosed
CN-114206128-A Beverage having bubble retention and method for improving bubble retention of beverage 三得利控股株式会社 2022-03-18 — — CN disclosed
CN-114173555-A Plant containing novel steviol glycoside 三得利控股株式会社 2022-03-11 — — CN disclosed
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 — — US disclosed
CN-103958471-B Anthracene derivant and use its organic electric field luminescence assembly, electron transport material, display device and lighting device 捷恩智株式会社 2016-08-17 — — CN disclosed
CN-103958471-A Anthracene derivative and organic electroluminescent element using same JNC CORP 2014-07-30 — — CN disclosed
US-20070166783-A1 Synthesis of core sugar chain structure of aspargine-linked glycoprotein NISHIMURA, SHIN-ICHIRO (JP) 2007-07-19 — — US disclosed
CN-1918174-A Synthesis of core sugar chain structure of aspargine-linked glycoprotein SHIONOGI & CO (JP) 2007-02-21 — — CN disclosed
CN-1275966-C Pyridopyridopyrrolo [3, 2-g ] pyrrolo [3, 4-e ] indole and pyridopyrrolo [2, 3-a ] pyrrolo [3, 4-c ] carbazole compounds, process for their preparation and pharmaceutical compositions thereof SERVIER LAB (FR) 2006-09-20 — — CN disclosed
EP-1698634-A1 SYNTHESIS OF CORE SUGAR CHAIN STRUCTURE OF ASPARGINE-LINKED GLYCOPROTEIN SHIONOGI & CO., LTD. (JP) 2006-09-06 — — EP disclosed
US-7001906-B2 Pyrido-pyrido-pyrrolo pyrrolo-indole and pyrido-pyrrolo pyrrolo carbazole derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives LES LABORATOIRES SERVIER (FR) 2006-02-21 — — US disclosed
CN-1520415-A Pyrido-pyrido-pyrrolo pyrrolo-indole and pyrido-pyrrolo pyrrolo carbazole derivatives, method for prodn. thereof and pharmaceutical compsns. contg. said derivatives ɪά��ʵ���� 2004-08-11 — — CN disclosed
US-20040152721-A1 Pyrido-pyrido-pyrrolo pyrrolo-indole and pyrido-pyrrolo pyrrolo carbazole derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives LES LABORATOIRES SERVIER (FR) 2004-08-05 — — US disclosed
WO-2000059897-A2 ESTERS AND CARBONATES OF 2-(4-HYDROXYPHENYL)-6(OR 5)-HYDROXY-BENZOTHIOPHENE DERIVATIVES AS SELECTIVE ESTROGENIC COMPOUNDS AKZO NOBEL N.V. (NL) 2000-10-12 — — WO disclosed
US-5750213-A MOLECULAR ORIENTATION SHARP KABUSHIKI KAISHA (JP) 1998-05-12 — — US disclosed
US-4990508-A Reduced side effects TOYAMA CHEMICAL CO., LTD. (JP) 1991-02-05 — — 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 (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-20040152721-A1 Pyrido-pyrido-pyrrolo pyrrolo-indole and pyrido-pyrrolo pyrrolo carbazole derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives PYM1, PNPO, IDO1 ALDH1A1 682/4885LMNA 4488/4885HSD17B10 2335/4885
US-20220256902-A1 NOVEL STEVIOL GLYCOSIDE, METHOD FOR PRODUCING SAME, AND SWEETENER COMPOSITION CONTAINING SAME SLC5A1, SLC5A2, UGGT1 ALDH1A1 597/4885LMNA 4866/4885HSD17B10 535/4885

“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.

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