Methyl 3,4-Methylenedioxybenzoate

Methyl 3,4-Methylenedioxybenzoate

SCHEMBL133049

COC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.73
RAB9A P51151 10/20 0.73
SMN1; SMN2 Q16637 6/20 0.73
CASP3 P42574 1/20 0.73
SENP7 Q9BQF6 1/20 0.73
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
ALDH1A1 P00352 5/20 0.62
MAPK1 P28482 1/20 0.62
KDM4E B2RXH2 2/20 0.61
HPGD P15428 2/20 0.59
MAPT P10636 4/20 0.58
ADRB2 P07550 1/20 0.58
ADRB1 P08588 1/20 0.58
ADRB3 P13945 1/20 0.58
LMNA P02545 1/20 0.57
PKM P14618 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57

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
SCHEMBL668237 0.89 KDM4E (0.62) NPC1RAB9ASMN1; SMN2CASP3SENP7
SCHEMBL6858979 0.85 ALDH1A1 (0.67) NPC1RAB9ASMN1; SMN2CASP3SENP7
SCHEMBL29882235 0.85 KDM4E (0.69) NPC1RAB9ASMN1; SMN2CASP3SENP7
SCHEMBL7699682 0.84 KMT2A (0.61) NPC1RAB9ASMN1; SMN2CASP3SENP7
SCHEMBL1640023 0.81 RAB9A (0.73) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL29394052 0.81 RAB9A (0.73) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL27451660 0.81 KMT2A (0.68) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL3121285 0.80 MEN1 (0.60) NPC1RAB9ASMN1; SMN2CASP3SENP7
SCHEMBL13516462 0.80 MEN1 (1.00) NPC1RAB9ASMN1; SMN2CASP3SENP7
SCHEMBL70117 0.79 ALOX5 (0.59) NPC1RAB9ASMN1; SMN2CASP3SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161634-A1 Compounds as CCR5 antagonists SHANGHAI TARGET DRUG CO., LTD. (CN) 2007-07-12 US claimed
EP-1760079-A1 COMPOUNDS AS COR5 ANTAGONISTS Shanghai Target Drug Co., Ltd. (CN) 2007-03-07 EP claimed
EP-4622969-A1 PESTICIDALLY ACTIVE CYCLIC AMINE COMPOUNDS Syngenta Crop Protection AG (CH) 2025-10-01 EP disclosed
CN-120118139-A Catalpol derivative, synthesis process and application 华东理工大学 2025-06-10 CN disclosed
WO-2025109114-A1 NOVEL CARBOXAMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-05-30 WO disclosed
CN-119954787-A Modulators of methyl-modified enzymes, compositions and uses thereof 星座制药公司 2025-05-09 CN disclosed
WO-2025087761-A1 PESTICIDALLY ACTIVE CYCLIC AMINE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-05-01 WO disclosed
CN-111989325-B Modulators of methyl-modified enzymes, compositions and uses thereof 星座制药公司 2025-02-25 CN disclosed
WO-2024110215-A1 PESTICIDALLY ACTIVE CYCLIC AMINE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-05-30 WO disclosed
CN-114539249-B Podophyllotoxin derivative tubulin inhibitor, and preparation method and medical application thereof 中国药科大学 2024-01-26 CN disclosed
US-11584726-B2 Amino alcohol derivative, pharmaceutical composition and application thereof BEIJING FORELAND PHARMA CO., LTD. (CN) 2023-02-21 US disclosed
US-5739336-A SELECTIVE 5-HYDROXYTRYPTAMINE-2C RECEPTOR ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1998-04-14 US disclosed
WO-1997000872-A1 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-01-09 WO disclosed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US disclosed
CN-1104212-A Herbicides RHONE POULENC AGRICULTURE (GB) 1995-06-28 CN disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed
US-5238962-A Administering an antidepressants HOFFMANN-LA ROCHE INC. (US) 1993-08-24 US disclosed
US-4803290-A 1,2-AKKYLIDENE DIOXYBENZENE; FUNGICIDES PCRI, INC. (US) 1989-02-07 US disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3932450-A Intermediates in the preparation of imidazo(2,1-alpha)isoindoles SANDOZ, INC. (US) 1976-01-13 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-20070161634-A1 Compounds as CCR5 antagonists CCR5, CXCR3, CCL5 NPC1 194/4885RAB9A 1642/4885SMN1; SMN2 4063/4885
US-11584726-B2 Amino alcohol derivative, pharmaceutical composition and application thereof SSB, HLA-DRB1, LCP2 NPC1 4456/4885RAB9A 4057/4885SMN1; SMN2 52/4885

“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.