Toluene

Toluene

SCHEMBL48134

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

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Toluene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.73
TSHR P16473 2/20 0.73
ALOX12 P18054 1/20 0.73
ACHE P22303 1/20 0.73
CES2 O00748 3/20 0.59
CES1 P23141 3/20 0.59
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
AKR1C3 P42330 1/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.46
SRD5A2 P31213 1/20 0.46
DAO P14920 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
ALOX15 P16050 1/20 0.45
PTGS2 P35354 1/20 0.45

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 SCHEMBL27369787 1.00 LMNA (0.73) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL2914390 1.00 LMNA (0.73) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL7355317 1.00 LMNA (0.73) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL7096668 0.97 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL7092275 0.97 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL3032586 0.97 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL5082155 0.97 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL28193175 0.97 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL28238801 0.97 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL27700453 0.97 LMNA (0.69) LMNATSHRALOX12ACHECES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12234234-B2 Method for synthesizing 1,7-naphthyridine derivatives CHENGDA PHARMACEUTICALS CO., LTD. (CN) 2025-02-25 US claimed
CN-116375706-B Abamectin sodium key intermediate and preparation method thereof 时森海(杭州)医药科技有限公司 2025-02-14 CN claimed
EP-3835302-B1 DIISOCYANATE COMPOUND HAVING ANHYDROSUGAR ALCOHOL CORE AND PREPARATION METHOD THEREFOR SAMYANG CORP (KR) 2024-10-02 EP claimed
US-12060364-B2 Diisocyanate compound having anhydrosugar alcohol core and preparation method therefor SAMYANG CORPORATION (KR) 2024-08-13 US claimed
US-20240150390-A1 NOVEL METHOD FOR PRODUCING ANTIBODY-IMMUNOSTIMULATOR CONJUGATE DAIICHI SANKYO COMPANY, LIMITED (JP) 2024-05-09 US claimed
CN-117865889-A Synthesis method of benzisoquinoline compound 山东省药学科学院 2024-04-12 CN claimed
WO-2024024935-A1 NOVEL METHOD FOR PRODUCING ANTIBODY-DRUG CONJUGATE HAVING ANTINEOPLASTIC EFFECT 第一三共株式会社 2024-02-01 WO claimed
EP-4286393-A1 NOVEL METHOD FOR PRODUCING ANTIBODY-IMMUNOSTIMULATOR CONJUGATE Daiichi Sankyo Company, Limited (JP) 2023-12-06 EP claimed
CN-116867795-A Novel method for producing antibody-immunostimulant conjugate 第一三共株式会社 2023-10-10 CN claimed
EP-3626721-B1 SYNTHESIS OF ESTER AND AMIDE DERIVATIVES OF BETA-LACTAM NUCLEI BONOMI PAOLO (FR) 2023-09-06 EP claimed
EP-0951085-B1 Dicarbonate additives for non-aqueous electrolyte in alkali metal electrochemical cells GREATBATCH W LTD (US) 2003-01-29 EP claimed
US-20020136949-A1 Electrochemical cell having an electrode with a dicarbonate additive in the electrode active mixture GREATBATCH, INC. 2002-09-26 US claimed
EP-1244159-A1 Electrochemical cell having an electrode with a dicarbonate additive in the electrode active mixture WILSON GREATBATCH LTD. (US) 2002-09-25 EP claimed
US-6388134-B1 CHEMICAL INTERMEDIATES INKE, S.A. (ES) 2002-05-14 US claimed
US-20020042522-A1 Process for the preparation of derivative of 4-amino-3-hydroxypyrrole-2-carboxylic acid PHARMACIA CORPORATION 2002-04-11 US claimed
EP-1132373-A2 NEW DERIVATIVES OF 6-(4-PHENYLBUTOXY)HEXYLAMINE AND PROCESS FOR PRODUCING SALMETEROL VITA-INVEST, S.A. (ES) 2001-09-12 EP claimed
US-6174629-B1 ADDITION OF AT LEAST ONE DICARBONATE ADDITIVE TO AN ELECTROLYTE COMPRISING AN ALKALI METAL SALT DISSOLVED IN A SOLVENT MIXTURE THAT INCLUDES ETHYLENE CARBONATE, DIMETHYL CARBONATE, ETHYL METHYL CARBONATE AND DIETHYL CARBONATE WILSON GREATBATCH LTD. 2001-01-16 US claimed
EP-1005098-A2 Alkali metal electrochemical cell having an improved cathode activated with a nonaqueous electrolyte having a passivation inhibitor additive WILSON GREATBATCH LTD. (US) 2000-05-31 EP claimed
US-6063526-A AN ALKALI METAL, SOLID CATHODE, NONAQUEOUS ELECTROCHEMICAL CELL CAPABLE OF DELIVERING HIGH CURRENT PULSES, RAPIDLY RECOVERING ITS OPEN CIRCUIT VOLTAGE AND HAVING HIGH CURRENT CAPACITY; USE IN MEDICAL DEVICES SUCH AS DEFIBRILLATORS WILSON GREATBATCH LTD. (US) 2000-05-16 US claimed
EP-0951085-A1 Dicarbonate additives for non-aqueous electrolyte in alkali metal electrochemical cells WILSON GREATBATCH LTD. (US) 1999-10-20 EP 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 (4 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-20240150390-A1 NOVEL METHOD FOR PRODUCING ANTIBODY-IMMUNOSTIMULATOR CONJUGATE PAICS, COASY, CDS2 LMNA 4487/4885TSHR 2895/4885ALOX12 2129/4885
US-12234234-B2 Method for synthesizing 1,7-naphthyridine derivatives ALDH7A1, AKR7A2, APEH LMNA 327/4885TSHR 2397/4885ALOX12 1426/4885
US-12060364-B2 Diisocyanate compound having anhydrosugar alcohol core and preparation method therefor ADH1C, DAD1, UGT8 LMNA 2717/4885TSHR 2600/4885ALOX12 1173/4885
US-20020042522-A1 Process for the preparation of derivative of 4-amino-3-hydroxypyrrole-2-carboxylic acid LIG4, POLL, HPD LMNA 1469/4885TSHR 4108/4885ALOX12 4389/4885

“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.