Methyl 2,4,6-Trimethoxybenzoate

Methyl 2,4,6-Trimethoxybenzoate

SCHEMBL2563067

COC(=O)c1c(OC)cc(OC)cc1OC

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.58
USP2 O75604 1/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HPGD P15428 1/20 0.56
ABCG2 Q9UNQ0 2/20 0.51
KMT2A Q03164 1/20 0.51
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 1/20 0.45

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
SCHEMBL21957666 0.88 CYP3A4 (0.71) CYP3A4USP2MAPK1SMN1; SMN2HPGD
SCHEMBL24379065 0.88 GAA (0.54) CYP3A4USP2MAPK1SMN1; SMN2HPGD
SCHEMBL2027170 0.88 CYP3A4 (0.69) CYP3A4USP2MAPK1SMN1; SMN2HPGD
SCHEMBL9699067 0.87 CYP3A4 (0.58) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL1012543 0.87 KDM4E (0.51) CYP3A4USP2MAPK1SMN1; SMN2HPGD
Phosphine SCHEMBL22499896 0.85 CYP3A4 (0.56) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL2801743 0.84 ALDH1A1 (0.50) CYP3A4USP2MAPK1SMN1; SMN2HPGD
SCHEMBL7956511 0.83 CYP3A4 (0.55) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL8330318 0.83 POLB (0.53) CYP3A4SMN1; SMN2HPGDKMT2ACA1
SCHEMBL28776697 0.82 CYP3A4 (0.46) CYP3A4USP2MAPK1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170128595-A1 MICROBIAL GROWTH INDICATING MEDICAL DEVICES INDICATOR SYSTEMS INTERNATIONAL, INC. (US) 2017-05-11 US disclosed
EP-3158080-A1 MICROBIAL GROWTH INDICATING MEDICAL DEVICES Indicator Systems International, Inc. (US) 2017-04-26 EP disclosed
US-9581861-B2 Phase difference film, polarizing plate, and liquid crystal display device Konica Minolta, Inc. (JP) 2017-02-28 US disclosed
WO-2015200229-A1 MICROBIAL GROWTH INDICATING MEDICAL DEVICES INDICATOR SYSTEMS INTERNATIONAL, INC. (US) 2015-12-30 WO disclosed
US-9115066-B2 Trisubstituted methyl alcohols and their polymerizable derivatives INDICATOR SYSTEMS INTERNATIONAL, INC. (US) 2015-08-25 US disclosed
US-8979260-B1 Contact lenses with indicators INDICATOR SYSTEMS INTERNATIONAL, INC. (US) 2015-03-17 US disclosed
US-20150037258-A1 INFECTION INDICATING MEDICAL DEVICES INDICATOR SYSTEMS INTERNATIONAL, INC. 2015-02-05 US disclosed
EP-2814803-A1 TRISUBSTITUTED METHYL ALCOHOLS AND THEIR POLYMERIZABLE DERIVATIVES Indicator Systems International, Inc. (US) 2014-12-24 EP disclosed
WO-2014182854-A2 INFECTION INDICATING MEDICAL DEVICES INDICATOR SYSTEMS INTERNATIONAL, INC. (US) 2014-11-13 WO disclosed
US-20130202531-A1 INDICATORS FOR DETECTING THE PRESENCE OF METABOLIC BYPRODUCTS FROM MICROORGANISMS INDICATOR SYSTEMS INTERNATIONAL, INC. 2013-08-08 US disclosed
WO-2013090682-A1 TRISUBSTITUTED METHYL ALCOHOLS AND THEIR POLYMERIZABLE DERIVATIVES INDICATOR SYSTEMS INTERNATIONAL, INC. (US) 2013-06-20 WO disclosed
US-8425996-B2 Indicators for detecting the presence of metabolic byproducts from microorganisms INDICATOR SYSTEMS INTERNATIONAL, INC. (US) 2013-04-23 US disclosed
US-20120316408-A1 INDICATORS FOR DETECTING THE PRESENCE OF METABOLIC BY-PRODUCTS FROM MICROORGANISMS INDICATOR SYSTEMS INTERNATIONAL, INC. 2012-12-13 US disclosed
WO-2012158467-A2 INDICATORS FOR DETECTING THE PRESENCE OF METABOLIC BY-PRODUCTS FROM MICROORGANISMS INDICATOR SYSTEMS INTERNATIONAL, INC. (US) 2012-11-22 WO disclosed
CN-102405131-A Indicator for detecting the presence of microbial metabolic byproducts INDICATOR SYSTEMS INTERNATIONA 2012-04-04 CN disclosed
EP-2382080-A1 INDICATORS FOR DETECTING THE PRESENCE OF METABOLIC BYPRODUCTS FROM MICROORGANISMS Indicator Systems International, Inc. (US) 2011-11-02 EP disclosed
US-20100196636-A1 INDICATORS FOR DETECTING THE PRESENCE OF METABOLIC BYPRODUCTS FROM MICROORGANISMS INDICATOR SYSTEMS INTERNATIONAL, INC. 2010-08-05 US disclosed
WO-2010085755-A1 INDICATORS FOR DETECTING THE PRESENCE OF METABOLIC BYPRODUCTS FROM MICROORGANISMS INDICATOR SYSTEMS INTERNATIONAL, INC. (US) 2010-07-29 WO disclosed
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP 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 (3 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-20100196636-A1 INDICATORS FOR DETECTING THE PRESENCE OF METABOLIC BYPRODUCTS FROM MICROORGANISMS PGLS, MGAM, G6PD CYP3A4 311/4885USP2 1251/4885MAPK1 3004/4885
US-20170128595-A1 MICROBIAL GROWTH INDICATING MEDICAL DEVICES MKI67, MGAM, AREG CYP3A4 2261/4885USP2 848/4885MAPK1 1995/4885
US-20150037258-A1 INFECTION INDICATING MEDICAL DEVICES CUTA, CD63, CD99 CYP3A4 1301/4885USP2 468/4885MAPK1 2093/4885

“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.