Methyl 3,5-Dimethylbenzoate

Methyl 3,5-Dimethylbenzoate

SCHEMBL334346

COC(=O)c1cc(C)cc(C)c1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.66
ATM Q13315 1/20 0.61
CA1 P00915 4/20 0.60
CA2 P00918 4/20 0.60
CA12 O43570 3/20 0.60
CA7 P43166 3/20 0.60
CA9 Q16790 3/20 0.60
CA14 Q9ULX7 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
KDM4E B2RXH2 4/20 0.58
XDH P47989 2/20 0.58
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
NFKB1 P19838 1/20 0.58
GFER P55789 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
FUT7 Q11130 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL70232 0.95 ATM (0.61) CNR2ATMCA1CA2CA12
SCHEMBL3349389 0.89 CNR2 (0.56) CNR2ATMCA1CA2CA12
SCHEMBL31401266 0.89 CNR2 (0.56) CNR2ATMCA1CA2CA12
Methyl 3,5-Dimethylbenzoate SCHEMBL9579696 0.88 TSHR (0.73) CNR2ATMTDP1KDM4ELMNA
SCHEMBL3351858 0.87 ATM (0.53) CNR2ATMCA1CA2CA12
SCHEMBL31208002 0.87 CA12 (0.76) CNR2ATMCA1CA2CA12
SCHEMBL2259905 0.87 CA12 (0.76) CNR2ATMCA1CA2CA12
SCHEMBL166126 0.87 TPMT (0.64) CNR2ATMCA1CA2CA12
SCHEMBL18938219 0.85 ATM (0.52) CNR2ATMCA1CA2CA12
SCHEMBL839253 0.85 NOTUM (0.59) CNR2ATMCA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118879796-A Method for synthesizing methyl salicylate compound by taking biological enzyme as catalyst 济南大学 2024-11-01 CN claimed
CN-118240886-A Method for synthesizing ethyl salicylate compound by biological enzyme catalysis 济南大学 2024-06-25 CN claimed
US-20230234918-A1 AUTOMATED DIAZOMETHANE GENERATOR, REACTOR AND SOLID PHASE QUENCHER COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2023-07-27 US claimed
CN-112851506-B Industrial preparation method of 3, 5-dimethoxy-4-alkyl benzyl alcohol 湖北英纳氏生物科技有限公司 2023-06-23 CN claimed
EP-4178942-A1 AUTOMATED DIAZOMETHANE GENERATOR, REACTOR AND SOLID PHASE QUENCHER Council Of Scientific & Industrial Research (IN) 2023-05-17 EP claimed
CN-115956066-A Automatic diazomethane generator, reactor and solid phase quenching agent 科学与工业研究委员会 2023-04-11 CN claimed
WO-2022044038-A1 AUTOMATED DIAZOMETHANE GENERATOR, REACTOR AND SOLID PHASE QUENCHER COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2022-03-03 WO claimed
CN-112851506-A Industrial preparation method of 3, 5-dimethoxy, 4-alkyl benzyl alcohol 湖北英纳氏生物科技有限公司 2021-05-28 CN claimed
CN-104387332-B A kind of method of synthetic aroma enzyme inhibitors JIANGSU CHIATAI QINGJIANG PHARMACEUTICAL CO., LTD. (CN) 2016-04-13 CN claimed
CN-103342663-B A kind of preparation method of Anastrozole key intermediate ASYMCHEM MEDICAL GROUP (TIANJIN) INC. (CN) 2015-07-29 CN claimed
CN-104387332-A Method for synthesizing aromatase inhibitor JIANGSU CHIATAI QINGJIANG PHARMACEUTICAL CO LTD 2015-03-04 CN claimed
CN-103342663-A Method for preparing key anastrozole intermediate ASYMCHEM LAB TIANJIN CO LTD 2013-10-09 CN claimed
JP-2008500943-A 2008-01-17 JP claimed
EP-1622717-A2 AFFINITY-BASED ENRICHMENT OF PHOSPHORYLATED PEPTIDES AND/OR PROTEINS ProteoSys AG (DE) 2006-02-08 EP claimed
WO-2004099233-A2 AFFINITY-BASED ENRICHMENT OF PHOSPHORYLATED PEPTIDES AND/OR PROTEINS PROTEOSYS AG (DE) 2004-11-18 WO claimed
CN-122055358-A GPR65 small molecule regulator and preparation method and application thereof 四川大学 2026-05-15 CN disclosed
US-20260108482-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS INC (US) 2026-04-23 US disclosed
US-4042603-A SUBSTITUTED DIBENZOFURAN OR 9-FLUORENONE FROM A DIPHENYL ETHER OR BENZOPHENONE UBE INDUSTRIES, LTD. (JA) 1977-08-16 US disclosed
US-4042704-A FERTILITY CONTROL AGENTS SANDOZ, INC. (US) 1977-08-16 US disclosed
US-3992435-A USED FOR THE FORMATION OF POLYESTERS STANDARD OIL COMPANY (INDIANA) (US) 1976-11-16 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 (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-20260108482-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 CNR2 56/4885ATM 2893/4885CA1 1377/4885
US-20230234918-A1 AUTOMATED DIAZOMETHANE GENERATOR, REACTOR AND SOLID PHASE QUENCHER FTO, MNAT1, ALKBH2 CNR2 1024/4885ATM 432/4885CA1 471/4885

“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.