Toluene

Toluene

SCHEMBL5665166

Cc1ccccc1.c1ccccc1.c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 7/20 1.00
▸ TSHR P16473 2/20 1.00
▸ LMNA P02545 1/20 1.00
▸ ALOX12 P18054 1/20 1.00
▸ TDP1 Q9NUW8 2/20 0.58
▸ HPGD P15428 2/20 0.53
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42

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 SCHEMBL8938900 1.00 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL4429042 1.00 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL175861 1.00 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL11213676 1.00 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL8433895 1.00 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
SCHEMBL12344943 1.00 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL10976206 1.00 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL1 1.00 — —
SCHEMBL12344964 1.00 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL8824270 1.00 ACHE (1.00) ACHETSHRLMNAALOX12TDP1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4021889-B1 A PROCESS FOR OBTAINING 4,4'-DICHLORODIPHENYL SULFONE BASF SE (DE) 2024-06-26 — — EP disclosed
EP-4021889-A1 A PROCESS FOR OBTAINING 4,4'-DICHLORODIPHENYL SULFONE BASF SE (DE) 2022-07-06 — — EP disclosed
WO-2021037680-A1 A PROCESS FOR OBTAINING 4,4'-DICHLORODIPHENYL SULFONE BASF SE (DE) 2021-03-04 — — WO disclosed
CN-104109065-B A kind of method by benzene and methanol alkylation dimethylbenzene NINGXIA BAOTA PETROCHEMICAL TECHNOLOGY INDUSTRY DEVELOPMENT CO., LTD. (CN) 2016-01-06 — — CN disclosed
EP-1419142-A4 ARYLALKYLSULFONIC ACIDS AND METHODS FOR PRODUCING SAME STEPAN CO (US) 2006-02-08 — — EP disclosed
CN-1170792-C Method for separating C5-C8 materials or intermediate materials — 2004-10-13 — — CN disclosed
EP-1419142-A1 ARYLALKYLSULFONIC ACIDS AND METHODS FOR PRODUCING SAME STEPAN COMPANY (US) 2004-05-19 — — EP disclosed
WO-2003014070-A1 ARYLALKYLSULFONIC ACIDS AND METHODS FOR PRODUCING SAME STEPAN COMPANY (US) 2003-02-20 — — WO disclosed
US-6458972-B1 THERMAL CLEAVAGE OF MACROCYCLIC ESTERS IN THE PRESENCE OF A THERMOSTABLE BENZENE DERIVATIVE HAARMANN & REIMER GMBH (DE) 2002-10-01 — — US disclosed
US-20020095045-A1 Process for the preparation of macrocyclic esters SYMRISE GMBH & CO., KG (DE) 2002-07-18 — — US disclosed
US-6132630-A CENTRIFUGING; WATER AND OIL SEPARATION TUBOSCOPE VETCO INTERNATIONAL INC. (US) 2000-10-17 — — US disclosed
CN-1226547-A Method for separating C5-C8 materials or intermediate materials INST FRANCAIS DU PETROLE (FR) 1999-08-25 — — CN disclosed
US-4182613-A Compatibility additive for fuel oil blends EXXON RESEARCH & ENGINEERING CO. (US) 1980-01-08 — — US disclosed
US-4171290-A Catalyst for selective hydrocracking of alkylbenzenes STANDARD OIL COMPANY (INDIANA) (US) 1979-10-16 — — US disclosed
US-4036885-A BENZENE AS DILUENT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JA) 1977-07-19 — — US disclosed
US-3996283-A ACID CATALYST, SOLVENT EXTRACTION, AROMATIC AMINE, FORMALDEHYDE BAYER AKTIENGESELLSCHAFT (DT) 1976-12-07 — — US disclosed
US-3962343-A Method for decomposing an aromatic aldehyde-hydrogen fluoride-boron fluoride complex MITSUBISHI GAS CHEMICAL COMPANY, INC. (JA) 1976-06-08 — — 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-20020095045-A1 Process for the preparation of macrocyclic esters CYP3A4, CYP4A11, CASP14 ACHE 1653/4885TSHR 3176/4885LMNA 503/4885

“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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