4-Methylbenzoic Acid Methyl Ester

4-Methylbenzoic Acid Methyl Ester

SCHEMBL137891

COC(=O)c1ccc(C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 1.00
ALDH1A1 P00352 6/20 0.74
MAPT P10636 4/20 0.74
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
CA12 O43570 1/20 0.67
CA7 P43166 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TSHR P16473 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 1/20 0.61
HPGD P15428 1/20 0.61
RAB9A P51151 1/20 0.61
LOXL2 Q9Y4K0 1/20 0.57
LMNA P02545 1/20 0.56
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56

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
4-Methylbenzoic Acid Methyl Ester SCHEMBL10539663 1.00 TDP1 (1.00) TDP1ALDH1A1MAPTCA1CA2
4-Methylbenzoic Acid Methyl Ester SCHEMBL27908435 0.95 TDP1 (0.91) TDP1ALDH1A1MAPTCA1CA2
4-Methylbenzoic Acid Methyl Ester SCHEMBL7159509 0.95 TDP1 (0.91) TDP1ALDH1A1MAPTCA1CA2
SCHEMBL2275652 0.93 TDP1 (0.87) TDP1ALDH1A1MAPTCA1CA2
4-Methylbenzoic Acid Methyl Ester SCHEMBL28736599 0.93 TDP1 (0.87) TDP1ALDH1A1MAPTCA1CA2
SCHEMBL1775145 0.93 TDP1 (0.87) TDP1ALDH1A1MAPTCA1CA2
SCHEMBL16604879 0.93 TDP1 (0.87) TDP1ALDH1A1MAPTCA1CA2
SCHEMBL13019491 0.93 TDP1 (0.87) TDP1ALDH1A1MAPTCA1CA2
4-Methylbenzoic Acid Methyl Ester SCHEMBL28655144 0.91 TDP1 (0.83) TDP1ALDH1A1MAPTCA1CA2
4-Methylbenzoic Acid Methyl Ester SCHEMBL30831242 0.91 TDP1 (0.83) TDP1ALDH1A1MAPTCA1CA2

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

Appears in 3108 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119798702-B Aggregation-induced emission metal organic framework, preparation method thereof and application thereof in portable detection of low-concentration nitrobenzene 辽宁大学 2026-05-19 CN claimed
EP-4288481-B1 PROCESS FOR MODIFYING AN AROMATIC POLYETHER BACKBONE AND A MODIFIED POLYETHER OBTAINED BY THIS PROCESS UNIV BERLIN TECH (DE) 2026-05-06 EP claimed
US-20260035533-A1 RECYCLED CONTENT DIMETHYL TEREPHTHALATE AND RELATED CHEMICAL COMPONENTS FROM WASTE PLASTIC EASTMAN CHEMICAL COMPANY (US) 2026-02-05 US claimed
EP-4565551-A1 RECYCLED CONTENT DIMETHYL TEREPHTHALATE AND RELATED CHEMICAL COMPONENTS FROM WASTE PLASTIC Eastman Chemical Company (US) 2025-06-11 EP claimed
CN-119798702-A Aggregation-induced emission metal organic framework, preparation method thereof and application thereof in portable detection of low-concentration nitrobenzene 辽宁大学 2025-04-11 CN claimed
CN-117447818-B PBT composite material and preparation method and application thereof 上海金发科技发展有限公司 2025-03-28 CN claimed
CN-119657225-A Cu-POM catalyst and preparation method and application thereof 中国药科大学 2025-03-21 CN claimed
US-12240925-B2 Process for preparing solid catalyst components for olefin polymerization W. R. GRACE & CO.- CONN. (US) 2025-03-04 US claimed
CN-119462376-A Synthesis process of panatinib key intermediate 湖北广济医药科技有限公司 2025-02-18 CN claimed
CN-119301103-A 3, 4-Dihydroquinoxaline-2-carboxamide derivative compound and pharmaceutical composition for preventing or treating cancer diseases comprising the same 财团法人 大邱庆北尖端医疗产业振兴财团 2025-01-10 CN claimed
US-4343937-A ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1982-08-10 US claimed
US-4342869-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-08-03 US claimed
US-4342757-A Cephalosporin antibiotic compositions MERCK & CO., INC. (US) 1982-08-03 US claimed
US-4338437-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US claimed
US-4338438-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US claimed
US-4329256-A Process for the manufacture of a mixed catalyst HOECHST AKTIENGESELLSCHAFT (DE) 1982-05-11 US claimed
US-4324890-A ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1982-04-13 US claimed
US-4297488-A 7-α-Methoxy cephalosporins MERCK & CO., INC. (US) 1981-10-27 US claimed
US-4182847-A Monomers for poly(methylenebenzoate) polymers from toluic acid compounds STANDARD OIL COMPANY (INDIANA) (US) 1980-01-08 US claimed
US-3944602-A PURIFICATION CHEMISCHE WERKE WITTEN GMBH (DT) 1976-03-16 US claimed