Toluene

Toluene

SCHEMBL355333

CC#N.Cc1ccccc1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.69
ACHE P22303 5/20 0.69
LMNA P02545 1/20 0.69
ALOX12 P18054 1/20 0.69
ALDH1A1 P00352 1/20 0.46
CYP2A6 P11509 1/20 0.46
HPGD P15428 3/20 0.42
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ADORA1 P30542 2/20 0.38
ADORA2A P29274 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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 SCHEMBL17498723 1.00 TSHR (0.69) TSHRACHELMNAALOX12ALDH1A1
Toluene SCHEMBL6372716 1.00 TSHR (0.69) TSHRACHELMNAALOX12ALDH1A1
Toluene SCHEMBL28044275 0.97 ACHE (0.65) TSHRACHELMNAALOX12ALDH1A1
Toluene SCHEMBL8973741 0.94 ACHE (0.61) TSHRACHELMNAALOX12ALDH1A1
Toluene SCHEMBL8833225 0.92 ACHE (0.58) TSHRACHELMNAALOX12ALDH1A1
Toluene SCHEMBL27260968 0.88 ACHE (0.69) TSHRACHELMNAALOX12ALDH1A1
Toluene SCHEMBL2780000 0.87 TSHR (0.52) TSHRACHELMNAALOX12ALDH1A1
Toluene SCHEMBL7594282 0.87 LMNA (0.52) TSHRACHELMNAALOX12ALDH1A1
Toluene SCHEMBL6666244 0.87 ACHE (0.92) TSHRACHELMNAALOX12ALDH1A1
Toluene SCHEMBL3319586 0.87 ACHE (0.92) TSHRACHELMNAALOX12ALDH1A1

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 1143 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115960340-B Electrochemical polymerization preparation and application of triphenylamine quinoxaline conjugated polymer 南京林业大学 2025-06-10 CN claimed
CN-118325609-A Perovskite quantum dot and preparation method and application thereof 北京航空航天大学 2024-07-12 CN claimed
CN-118090952-A Method for determining phthalate esters and substitutes thereof in tea 中国科学院生态环境研究中心 2024-05-28 CN claimed
CN-115184510-B Method for detecting residual quantity of novel pesticide bromarol diamide in fruits and vegetables 湖南省产商品质量检验研究院 2024-05-24 CN claimed
CN-117865770-A Method for separating acetonitrile-toluene-water by azeotropic distillation 扬州贝尔新环境科技有限公司 2024-04-12 CN claimed
CN-117482042-A Neostigmine methosulfate injection and preparation process thereof 杭州沐源生物医药科技有限公司 2024-02-02 CN claimed
CN-111925345-B Preparation method of chiral 2-aminomethyltetrahydrofuran 上海科利生物医药有限公司 2023-09-29 CN claimed
CN-111879879-B Method for detecting methamidophos and octachlorodipropyl ether in plant food 福建省中孚检测技术有限公司 2023-09-26 CN claimed
US-20230136910-A1 Synthesis of vinylic alcohol intermediates AMGEN INC. (US) 2023-05-04 US claimed
CN-115980222-A Method for determining residual quantity of fluopicoline in tea 通标标准技术服务(上海)有限公司 2023-04-18 CN claimed
CN-1736529-A Batch extractive distillation separating method of acetonitrile-methylbenzene azeotropic mixtrue UNIV TIANJIN (CN) 2006-02-22 CN claimed
CN-1736530-A Method for separating acetonitrile-methylbenzene azeotropic mixture by continuous extractive distillation UNIV TIANJIN (CN) 2006-02-22 CN claimed
CN-1629140-A 3-cyano-1-alkoxy indole derivatives, preparing process and application thereof UNIV TIANJIN (CN) 2005-06-22 CN claimed
US-6676821-B1 REDUCING GROUP THREE TO FIVE METAL IONS DISSSOLVED IN ORGANIC ELECTROLYTE IN PRESENCE OF OXIDIZER WHILE AGITATING AND/OR ULTRASONICATING HENKEL KOMMANDITGESELLSCHAFT AUF (DE) 2004-01-13 US claimed
US-20020132032-A1 Process for production of aspartame derivative, crystal thereof, novel production intermediate therefor, and process for production of intermediate thereof AJINOMOTO CO., INC. (JP) 2002-09-19 US claimed
EP-0737186-B1 PROCESS FOR THE PREPARATION OF LEUKOTRIENE ANTAGONISTS MERCK & CO INC (US) 1998-08-19 EP claimed
US-5614632-A Process for the preparation of leukotriene anatgonists MERCK & CO., INC. (US) 1997-03-25 US claimed
EP-0737186-A1 PROCESS FOR THE PREPARATION OF LEUKOTRIENE ANTAGONISTS MERCK & CO. INC. (US) 1996-10-16 EP claimed
WO-1995018107-A1 PROCESS FOR THE PREPARATION OF LEUKOTRIENE ANTAGONISTS MERCK & CO., INC. (US) 1995-07-06 WO claimed
US-4008233-A Process for the preparation of 4r-amino-1t-phenyl-1c-ethoxycarbonyl-cyclohexenes-(2) WARNER-LAMBERT COMPANY (US) 1977-02-15 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20230136910-A1 Synthesis of vinylic alcohol intermediates MCL1, BCL2A1, BAK1 TSHR 4505/4885ACHE 4759/4885LMNA 527/4885

“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.