Methyl Vanillate

Methyl Vanillate

SCHEMBL1491815

COC(=O)c1ccc(O)c(OC)c1.COc1cc(C(=O)O)ccc1O.COc1cc(C=O)ccc1O

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
TDP1 Q9NUW8 3/20 0.66
HPGD P15428 2/20 0.66
HTT P42858 2/20 0.66
TRIM24 O15164 1/20 0.66
ALDH5A1 P51649 1/20 0.66
ABAT P80404 1/20 0.66
TRIM33 Q9UPN9 1/20 0.66
CXCL12 P48061 1/20 0.57
KDM4E B2RXH2 3/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 2/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.56
APEX1 P27695 1/20 0.56
CASP6 P55212 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HDAC6 Q9UBN7 2/20 0.52
ALOX5 P09917 2/20 0.52

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
Vanillic Acid SCHEMBL6304148 0.93 TDP1 (0.76) ALDH1A1TDP1HPGDHTTTRIM24
Vanillic Acid SCHEMBL31482267 0.93 TDP1 (0.76) ALDH1A1TDP1HPGDHTTTRIM24
Vanillic Acid SCHEMBL15111200 0.91 TDP1 (0.68) ALDH1A1TDP1HPGDHTTTRIM24
Vanillic Acid SCHEMBL21243287 0.89 TDP1 (0.69) ALDH1A1TDP1HPGDHTTTRIM24
Vanillin SCHEMBL11001184 0.83 ALDH1A1 (0.83) ALDH1A1TDP1HPGDHTTTRIM24
Vanillin SCHEMBL11005312 0.83 ALDH1A1 (0.89) ALDH1A1TDP1HPGDHTTTRIM24
Methyl Vanillate SCHEMBL25417789 0.83 KMT2A (0.72) ALDH1A1HPGDHTTKDM4ERAB9A
Methyl Vanillate SCHEMBL275939 0.83 KMT2A (0.72) ALDH1A1HPGDHTTKDM4ERAB9A
Methyl Vanillate SCHEMBL31157843 0.83 KMT2A (0.72) ALDH1A1HPGDHTTKDM4ERAB9A
Methyl Vanillate SCHEMBL29640509 0.83 KMT2A (0.72) ALDH1A1HPGDHTTKDM4ERAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906687-B2 Method for the breakdown of lignin ETH ZURICH (CH) 2011-03-15 US disclosed
US-20100121110-A1 METHOD FOR THE BREAKDOWN OF LIGNIN ETH ZURICH (CH) 2010-05-13 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 (1 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-20100121110-A1 METHOD FOR THE BREAKDOWN OF LIGNIN LPO, GLO1, LCT ALDH1A1 1322/4885TDP1 1337/4885HPGD 326/4885

“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.