Toluene

Toluene

SCHEMBL98542

CCOCC.Cc1ccccc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
ACHE P22303 3/20 0.61
LMNA P02545 1/20 0.61
ALOX12 P18054 1/20 0.61
LTA4H P09960 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2C19 P33261 1/20 0.37
PIN1 Q13526 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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 SCHEMBL27641079 1.00 TSHR (0.61) TSHRACHELMNAALOX12LTA4H
Toluene SCHEMBL8107016 1.00 TSHR (0.61) TSHRACHELMNAALOX12LTA4H
Toluene SCHEMBL8618202 1.00 TSHR (0.61) TSHRACHELMNAALOX12LTA4H
Toluene SCHEMBL4611849 1.00 TSHR (0.61) TSHRACHELMNAALOX12LTA4H
Toluene SCHEMBL8432145 1.00 TSHR (0.61) TSHRACHELMNAALOX12LTA4H
Toluene SCHEMBL11442347 1.00 TSHR (0.61) TSHRACHELMNAALOX12LTA4H
Toluene SCHEMBL9180469 1.00 TSHR (0.61) TSHRACHELMNAALOX12LTA4H
Toluene SCHEMBL10589554 1.00 TSHR (0.61) TSHRACHELMNAALOX12LTA4H
Toluene SCHEMBL6666240 1.00 TSHR (0.61) TSHRACHELMNAALOX12LTA4H
Toluene SCHEMBL14973461 1.00 TSHR (0.61) TSHRACHELMNAALOX12LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835577-B Aldehyde synthesis method 安徽智新生化有限公司 2024-04-19 CN claimed
CN-115819445-A Preparation method of trimethylaluminum 广东先导微电子科技有限公司 2023-03-21 CN claimed
EP-3480190-B1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS CALIFORNIA INST OF TECHN (US) 2023-01-04 EP claimed
CN-115172647-B Fatty acid zinc modified zinc metal negative electrode and preparation method and application thereof 中南大学 2022-12-13 CN claimed
CN-115172647-A Fatty acid zinc modified zinc metal negative electrode and preparation method and application thereof 中南大学 2022-10-11 CN claimed
CN-114835577-A Method for synthesizing aldehyde 安徽智新生化有限公司 2022-08-02 CN claimed
CN-109336874-B Preparation method of canagliflozin 江苏工程职业技术学院 2022-03-11 CN claimed
CN-111875933-A High-performance photosensitive acrylic resin composition and preparation method thereof 李有伟 2020-11-03 CN claimed
US-10358422-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-07-23 US claimed
US-20190135754-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS CALIFORNIA INSTITUTE OF TECHNOLOGY 2019-05-09 US claimed
CN-1424382-A Diesel IC engine environmental protection fuel composition and its fuel conveying system XINDONGLI FUEL DEV CO LTD (CN) 2003-06-18 CN claimed
WO-2003026667-A1 QUINAZOLINO- AND QUINOLINO- GUANIDINES AS LIGANDS FOR THE NEUROP EPTIDE FF (NPFF) RECEPTORS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-04-03 WO claimed
EP-1272489-A1 PROCESS FOR PREPARING CRYSTALLINE FORM I OF CABERGOLINE Pharmacia Italia S.p.A. (IT) 2003-01-08 EP claimed
WO-2001070740-A1 PROCESS FOR PREPARING CRYSTALLINE FORM I OF CABERGOLINE PHARMACIA ITALIA SPA (IT) 2001-09-27 WO claimed
CN-1179770-A Preparation of cis- 4 -0 -protected -2 -cyclopentenol derivatives HOECHST MARION ROUSSEL INC (US) 1998-04-22 CN claimed
US-5728899-A Preparation of cis-4-O-protected-2-cyclopentenol derivatives HOECHST MARION ROUSSEL INC. (US) 1998-03-17 US claimed
EP-0817764-A1 PREPARATION OF CIS-4-O-PROTECTED-2-CYCLOPENTENOL DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1998-01-14 EP claimed
WO-1996030320-A1 PREPARATION OF CIS-4-O-PROTECTED-2-CYCLOPENTENOL DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1996-10-03 WO claimed
EP-0156414-B1 PROCESS FOR THE DISSOLUTION OF DEOXYRIBONUCLEIC ACIDS IN NON-AQUEOUS SOLVENTS AND MIXED NON-AQUEOUS/AQUEOUS SOLVENT SYSTEMS, SOLUTIONS THEREBY OBTAINED AND THEIR USE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-01-25 EP claimed
US-4260599-A ENZYME INHIBITOR, COLLAGEN, LIVER DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-04-07 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 (2 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-20190135754-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS LSS, COASY, ADH1A TSHR 1996/4885ACHE 733/4885LMNA 1492/4885
US-10358422-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols LSS, COASY, ADH1A TSHR 1996/4885ACHE 733/4885LMNA 1492/4885

“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.