Toluene

Toluene

SCHEMBL510300

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 SCHEMBL1159815 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL6346934 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 113 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306546-A1 GLYCAN, AND METHOD FOR PRODUCING MEDICINE CONTAINING GLYCAN Daiichi Sankyo Company, Limited (JP) 2024-01-17 — — EP disclosed
CN-116917341-A Sugar chain and method for producing pharmaceutical product containing sugar chain 第一三共株式会社 2023-10-20 — — CN disclosed
US-20220218713-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HONG KONG KING-FRIEND INDUSTRIAL COMPANY LTD. (CN) 2022-07-14 — — US disclosed
CN-111662314-B Polycyclic aromatic compound or condensation polymer thereof, organic electroluminescent element, display device, and lighting device 学校法人关西学院 2021-10-26 — — CN disclosed
CN-106987256-B Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element using same JNC株式会社 2021-09-21 — — CN disclosed
US-20210113571-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HONG KONG KING-FRIEND INDUSTRIAL COMPANY LTD. (CN) 2021-04-22 — — US disclosed
CN-106905367-B Electron transport material or electron injection material, organic electroluminescent element, display device, and lighting device 学校法人关西学院 2020-11-17 — — CN disclosed
CN-111909189-A Polycyclic aromatic compound, multimer thereof, organic electroluminescent element, display device, and lighting device 学校法人关西学院 2020-11-10 — — CN disclosed
CN-111892615-A Polycyclic aromatic compound, organic electroluminescent element, display device, and lighting device 学校法人关西学院 2020-11-06 — — CN disclosed
CN-105431439-B Polycyclic aromatic compound, method for producing same, material for organic device, and application thereof 学校法人关西学院 2020-09-25 — — CN disclosed
US-5280032-A 1,2-ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1994-01-18 — — US disclosed
EP-0546338-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1993-06-16 — — EP disclosed
EP-0546529-A1 Triazole derivatives and salts thereof, processes for producing the same, and antifungal agent containing the same TOYAMA CHEMICAL CO., LTD. (JP) 1993-06-16 — — EP disclosed
CN-1068814-A Tetracyclic antibiotic and manufacture method thereof HOECHST AG (DE) 1993-02-10 — — CN disclosed
EP-0146090-B1 SIALYLOLIGOSACCHARIDES AND METHOD FOR PRODUCING THE SAME RIKAGAKU KENKYUSHO (JP) 1992-03-18 — — EP disclosed
US-5091109-A Ferroelectric; improved responsiveness CANON KABUSHIKI KAISHA (JP) 1992-02-25 — — US disclosed
EP-0415256-A2 Mesomorphic compound, liquid crystal composition containing same and liquid crystal device using same CANON KABUSHIKI KAISHA (JP) 1991-03-06 — — EP disclosed
EP-0383281-A1 1,2-ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1990-08-22 — — EP disclosed
EP-0146090-A2 Sialyloligosaccharides and method for producing the same RIKAGAKU KENKYUSHO (JP) 1985-06-26 — — EP disclosed
US-4294832-A HYPOTENSIVE AGENTS, ANGIOTENSIN INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1981-10-13 — — 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-20220218713-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES FABP2, PLEC, FABP6 ALDH1A1 852/4885LMNA 4184/4885HSD17B10 2454/4885
US-20210113571-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES FABP2, PLEC, FABP6 ALDH1A1 852/4885LMNA 4184/4885HSD17B10 2454/4885

“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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