Toluene

Toluene

SCHEMBL330032

Cc1ccccc1.ClCCl

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.73
LMNA P02545 3/20 0.73
TSHR P16473 3/20 0.73
ALOX12 P18054 1/20 0.73
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP2C19 P33261 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 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 SCHEMBL5595092 1.00 ACHE (0.73) ACHELMNATSHRALOX12POLB
Toluene SCHEMBL11448382 1.00 ACHE (0.73) ACHELMNATSHRALOX12POLB
Toluene SCHEMBL28673606 0.94 ACHE (0.65) ACHELMNATSHRALOX12POLB
Toluene SCHEMBL5671767 0.94 ACHE (0.65) ACHELMNATSHRALOX12POLB
Toluene SCHEMBL8213424 0.91 ACHE (0.61) ACHELMNATSHRALOX12POLB
Toluene SCHEMBL8979310 0.91 ACHE (0.61) ACHELMNATSHRALOX12POLB
Toluene SCHEMBL2063451 0.90 ACHE (0.69) ACHELMNATSHRALOX12POLB
Toluene SCHEMBL8845007 0.90 ACHE (0.69) ACHELMNATSHRALOX12POLB
Toluene SCHEMBL9410087 0.89 LMNA (0.58) ACHELMNATSHRALOX12POLB
Toluene SCHEMBL7463284 0.87 LMNA (0.55) ACHELMNATSHRALOX12POLB

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 1085 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116981678-A Method for synthesizing reactive carbohydrates comprising antigen precursors for conjugation to a carrier material 科兰克斯资本 2023-10-31 CN claimed
CN-116514669-A Synthesis method of 2-chloro-5-phenoxyaniline 上海灵瑞医药有限公司 2023-08-01 CN claimed
CN-110569942-B Preparation method of multiple anti-counterfeiting fluorescent two-dimensional code device 浙江工业大学 2023-05-23 CN claimed
US-20230125064-A2 CRYSTAL FORM OF PHOSPHODIESTERASE INHIBITOR,PREPARATION METHOD THEREFOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2023-04-20 US claimed
CN-114058038-B Preparation method of hydrogel material for rapid hemostasis 武汉大学中南医院 2023-03-28 CN claimed
US-20220194934-A1 CRYSTAL FORM OF PHOSPHODIESTERASE INHIBITOR,PREPARATION METHOD THEREFOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2022-06-23 US claimed
CN-114058038-A Preparation method of hydrogel material for rapid hemostasis 武汉大学中南医院 2022-02-18 CN claimed
EP-3939978-A1 CRYSTAL FORM OF PHOSPHODIESTERASE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Transthera Sciences (Nanjing), Inc. (CN) 2022-01-19 EP claimed
CN-113754909-A Graphene-natural rubber composite toughening modified polylactic acid film and preparation method thereof 陈运恒 2021-12-07 CN claimed
CN-111689958-B Crystal forms of phosphodiesterase inhibitors, preparation method and uses thereof 南京药捷安康生物科技有限公司 2021-11-19 CN claimed
US-20040014998-A1 Process for the preparation of baccatin III derivatives INDENA S.P.A. (IT) 2004-01-22 US claimed
US-6670472-B2 Reacting 10-methoxyiminostilbene with cyanic acid (HOCN) in a solvent therefor in the presence of a mild acidic reagent to produce 10-methoxycarbamazepine MAX INDIA LIMITED (IN) 2003-12-30 US claimed
US-20030235696-A1 Polysiloxane(amide-ureide) anti-ice coating THE BOEING COMPANY 2003-12-25 US claimed
EP-1347984-A2 A PROCESS FOR THE PREPARATION OF TAXAN DERIVATIVES INDENA S.p.A. (IT) 2003-10-01 EP claimed
US-20030105076-A1 Process for the preparation of 10-methoxycarbamazepine JUBILANT ORGANOSYS LTD (IN) 2003-06-05 US claimed
EP-1307436-A1 PROCESS FOR THE PREPARATION OF BACCATIN III DERIVATIVES INDENA S.p.A. (IT) 2003-05-07 EP claimed
WO-2002044161-A2 A PROCESS FOR THE PREPARATION OF TAXAN DERIVATIVES INDENA S.P.A. (IT) 2002-06-06 WO claimed
WO-2002012215-A1 PROCESS FOR THE PREPARATION OF BACCATIN III DERIVATIVES INDENA S.P.A. (IT) 2002-02-14 WO claimed
EP-0107080-A1 Decolorizing polymers of epihalohydrin The B.F. GOODRICH Company (US) 1984-05-02 EP claimed
US-4144254-A ADSORPTION OF IMPURITIES ON BASIC ALUMINA, CRYSTALLIZATION MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1979-03-13 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 (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-20030105076-A1 Process for the preparation of 10-methoxycarbamazepine PARK7, BCHE, DBH ACHE 14/4885LMNA 1249/4885TSHR 4726/4885
US-20040014998-A1 Process for the preparation of baccatin III derivatives BBC3, CYP8B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ACHE 3713/4885LMNA 221/4885TSHR 4877/4885
US-20220194934-A1 CRYSTAL FORM OF PHOSPHODIESTERASE INHIBITOR,PREPARATION METHOD THEREFOR AND USE THEREOF PDE3A, PDE5A, PDE3B ACHE 72/4885LMNA 1620/4885TSHR 2887/4885
US-20230125064-A2 CRYSTAL FORM OF PHOSPHODIESTERASE INHIBITOR,PREPARATION METHOD THEREFOR AND USE THEREOF PDE3A, PDE5A, PDE3B ACHE 72/4885LMNA 1620/4885TSHR 2887/4885

“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.