Toluene

Toluene

SCHEMBL1498823

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

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102304162-A Fullerene galactoside derivative, and preparation method and application thereof BENGBU BBCA TUSHAN PHARM CO 2012-01-04 — — CN claimed
US-11946910-B2 Triazolinedione adduct, method for producing triazolinedione adduct, method for producing ene compound, and method for analyzing ene compound TOKUYAMA CORPORATION (JP) 2024-04-02 — — US disclosed
CN-113956175-B Adhesive composition 日本曹达株式会社 2024-01-30 — — CN disclosed
CN-116286020-A Compound, liquid crystal composition, and liquid crystal display element, sensor, liquid crystal lens, optical communication device, and antenna using the same DIC株式会社 2023-06-23 — — CN disclosed
CN-111465592-B Compound, liquid crystal composition and liquid crystal display element 捷恩智株式会社 2023-05-16 — — CN disclosed
CN-115073510-A Chiral monohydroxysilane and preparation method thereof 深圳湾实验室 2022-09-20 — — CN disclosed
US-20220022395-A1 JASMONIC ACID ENDOGENY PROMOTING AGENT, AND METHOD FOR PROMOTING JASMONIC ACID ENDOGENY TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2022-01-27 — — US disclosed
CN-113956175-A Adhesive composition 日本曹达株式会社 2022-01-21 — — CN disclosed
US-11174258-B2 Benzimidazolo[1,2-a]benzimidazole derivatives for organic light emitting diodes IDEMITSU KOSAN CO., LTD. (JP) 2021-11-16 — — US disclosed
EP-3903576-A1 JASMONIC ACID ENDOGENY PROMOTING AGENT, AND METHOD FOR PROMOTING JASMONIC ACID ENDOGENY Tokyo University of Science Foundation (JP) 2021-11-03 — — EP disclosed
US-5124070-A High speed response SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-23 — — US disclosed
US-5107039-A Intermediates for asymmetric synthesis of steroids and alkaloids CHISSO CORPORATION (JP) 1992-04-21 — — US disclosed
EP-0416946-A2 Optically active naphthalene derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-03-13 — — EP disclosed
EP-0414453-A1 Optically active cyclopentenols and process for preparing the same Chisso Corporation (JP) 1991-02-27 — — EP disclosed
US-4990508-A Reduced side effects TOYAMA CHEMICAL CO., LTD. (JP) 1991-02-05 — — US disclosed
EP-0395390-A1 Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-31 — — 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-0360622-A2 Novel optically active benzene derivatives, process for producing the same and liquid-crystalline composition containing said derivatives as liquid-crystalline compound and light switching elements SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-03-28 — — EP disclosed
EP-0357372-A2 Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-03-07 — — EP disclosed
EP-0227953-A2 New cephalosporin derivatives and antibiotics containing the same MEIJI SEIKA KAISHA LTD. (JP) 1987-07-08 — — 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 (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-11946910-B2 Triazolinedione adduct, method for producing triazolinedione adduct, method for producing ene compound, and method for analyzing ene compound NR2E1, AR, NR5A2 ALDH1A1 219/4885LMNA 3288/4885HSD17B10 266/4885
US-11174258-B2 Benzimidazolo[1,2-a]benzimidazole derivatives for organic light emitting diodes KCNH2, KCNH3, KCNJ2 ALDH1A1 397/4885LMNA 979/4885HSD17B10 4182/4885
US-20220022395-A1 JASMONIC ACID ENDOGENY PROMOTING AGENT, AND METHOD FOR PROMOTING JASMONIC ACID ENDOGENY MYB, ERO1A, ERG28 ALDH1A1 3661/4885LMNA 4771/4885HSD17B10 264/4885

“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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