Toluene

Toluene

SCHEMBL744674

CC(C)CO.Cc1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
LMNA P02545 2/20 0.58
ACHE P22303 2/20 0.58
ALOX12 P18054 1/20 0.58
TRPA1 O75762 6/20 0.46
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.37
ALDH1A1 P00352 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 SCHEMBL28909233 0.97 TSHR (0.55) TSHRLMNAACHEALOX12TRPA1
Toluene SCHEMBL27977612 0.97 TSHR (0.55) TSHRLMNAACHEALOX12TRPA1
Toluene SCHEMBL11300923 0.95 TSHR (0.52) TSHRLMNAACHEALOX12TRPA1
Toluene SCHEMBL11482275 0.93 LMNA (0.50) TSHRLMNAACHEALOX12TRPA1
Toluene SCHEMBL11480026 0.93 LMNA (0.50) TSHRLMNAACHEALOX12TRPA1
Toluene SCHEMBL11299292 0.87 LMNA (0.55) TSHRLMNAACHEALOX12TRPA1
Toluene SCHEMBL28845148 0.87 LMNA (0.55) TSHRLMNAACHEALOX12TRPA1
Toluene SCHEMBL28492206 0.87 TSHR (0.44) TSHRLMNAACHEALOX12TRPA1
P-Xylene SCHEMBL27676531 0.86 TSHR (0.56) TSHRLMNAACHECES2CES1
Toluene SCHEMBL6684106 0.83 LMNA (0.50) TSHRLMNAACHEALOX12TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116573705-B Recycling process of aluminum acid polishing waste liquid 南京大学 2024-01-26 CN claimed
CN-115210241-B Solid forms of imidazopyrazine citrate 成都倍特药业股份有限公司 2023-09-08 CN claimed
CN-116573705-A Recycling process of aluminum acid polishing waste liquid 南京大学 2023-08-11 CN claimed
CN-105153261-A Synthesis method of ethisterone ZHEJIANG XIANJU JUNYE PHARMACEUTICAL CO LTD 2015-12-16 CN claimed
JP-9057931-A None JP disclosed
JP-3210000-A None JP disclosed
CN-115322067-B Separation method of light component mixture in 1, 4-butanediol production waste liquid 万华化学集团股份有限公司 2024-04-09 CN disclosed
CN-116573705-B Recycling process of aluminum acid polishing waste liquid 南京大学 2024-01-26 CN disclosed
US-20230348522-A1 METHOD FOR PRODUCING BICYCLIC PHOSPHORAMIDITE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-11-02 US disclosed
CN-115210241-B Solid forms of imidazopyrazine citrate 成都倍特药业股份有限公司 2023-09-08 CN disclosed
CN-116573705-A Recycling process of aluminum acid polishing waste liquid 南京大学 2023-08-11 CN disclosed
CN-115322067-A Method for separating light component mixture from 1,4-butanediol production waste liquid 万华化学集团股份有限公司 2022-11-11 CN disclosed
JP-H0957931-A LAMINATED FILM TORAY IND INC 1997-03-04 JP disclosed
US-5310813-A Copolymer includes alkyl (meth)acrylate and macromolecular monomers; high solids, low viscosity; automobiles, appliances TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-05-10 US disclosed
JP-H03210000-A MANUFACTURE OF DIAPHRAGM FOR LOUDSPEAKER MATSUSHITA ELECTRIC IND CO LTD 1991-09-12 JP disclosed
EP-0135992-A2 Preparation of lignocellulosic composite articles using a functional polysiloxane release agent ATLANTIC RICHFIELD COMPANY (US) 1985-04-03 EP disclosed
EP-0002588-B1 PLEUROMUTILIN GLYCOSIDE DERIVATIVES, FORMULATIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION ELI LILLY AND COMPANY (US) 1983-04-06 EP disclosed
EP-0002588-A1 Pleuromutilin glycoside derivatives, formulations containing them and processes for their preparation ELI LILLY AND COMPANY (US) 1979-06-27 EP disclosed
US-4130709-A BACTERICIDE ELI LILLY AND COMPANY (US) 1978-12-19 US disclosed
US-4038329-A PROCESS FOR PURIFICATION OF NEOPENTYL GLYCOL EASTMAN KODAK COMPANY (US) 1977-07-26 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 (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-20230348522-A1 METHOD FOR PRODUCING BICYCLIC PHOSPHORAMIDITE PFAS, ENPP1, NAAA TSHR 4509/4885LMNA 1660/4885ACHE 2105/4885

“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.