Methyl Syringate

Methyl Syringate

SCHEMBL5152857

COC(=O)c1cc(OC)c(OC)c(OC)c1.COc1cc(C(=O)O)c(C)c(OC)c1OC

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
POLB P06746 2/20 0.51
TPMT P51580 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
USP2 O75604 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 4/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL4903560 0.87 PKM (0.58) KDM4EPOLBTPMTUSP2HSD17B10
Ammonia Solution, Strong SCHEMBL27859010 0.86 PKM (0.57) KDM4EPOLBTPMTUSP2HSD17B10
Syringate SCHEMBL30725929 0.86 PKM (0.53) KDM4EPOLBTPMTKMT2AMEN1
SCHEMBL12135968 0.82 KDM4E (0.67) KDM4EPOLBKMT2AMEN1USP2
Methyl Syringate SCHEMBL211747 0.82 MEN1 (0.61) KDM4EPOLBTPMTKMT2AMEN1
SCHEMBL27733832 0.77 CA1 (0.52) KDM4EPOLBKMT2AMEN1HSD17B10
SCHEMBL383326 0.76 PKM (0.46) KDM4EPOLBTPMTKMT2AMEN1
Gallic Acid Methyl Ester SCHEMBL4604139 0.76 LMNA (0.57) KDM4EPOLBTPMTHSD17B10PKM
Gallic Acid Methyl Ester SCHEMBL5334274 0.76 LMNA (0.57) KDM4EPOLBTPMTHSD17B10PKM
SCHEMBL24425750 0.76 KMT2A (0.54) KDM4EPOLBTPMTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776100-B1 TREATMENT OF CANCER USING BENZOIC ACID DERIVATIVES UNIV NEW YORK (US) 2016-08-31 EP disclosed
US-9018259-B2 Treatment of cancer using benzoic acid derivatives NEW YORK UNIVERSITY (US) 2015-04-28 US disclosed
US-20120329861-A1 TREATMENT OF CANCER USING BENZOIC ACID DERIVATIVES NEW YORK UNIVERSITY (US) 2012-12-27 US disclosed
US-8198328-B2 Treatment of cancer using benzoic acid derivatives NEW YORK UNIVERSITY (US) 2012-06-12 US disclosed
EP-1776100-A4 TREATMENT OF CANCER USING BENZOIC ACID DERIVATIVES UNIV NEW YORK (US) 2007-12-26 EP disclosed
EP-1776100-A2 TREATMENT OF CANCER USING BENZOIC ACID DERIVATIVES NEW YORK UNIVERSITY (US) 2007-04-25 EP disclosed
US-20050209334-A1 method of treating cancer using benzoic acid derivatives, alone or in combination with standard treatments such as chemotherapy and radiotherapy methods of screening for benzoic derivatives based on their ability to inhibit the enzyme tyrosinase or to bind to and activate PXR/SXR xenobiotic receptors. NEW YORK UNIVERSITY (US) 2005-09-22 US disclosed
WO-2005070024-A2 TREATMENT OF CANCER USING BENZOIC ACID DERIVATIVES NEW YORK UNIVERSITY (US) 2005-08-04 WO 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-20050209334-A1 method of treating cancer using benzoic acid derivatives, alone or in combination with standard treatments such as chemotherapy and radiotherapy methods of screening for benzoic derivatives based on their ability to inhibit the enzyme tyrosinase or to bind to and activate PXR/SXR xenobiotic receptors. AHR, TYR, CYP4X1 KDM4E 2567/4885POLB 1324/4885TPMT 433/4885
US-20120329861-A1 TREATMENT OF CANCER USING BENZOIC ACID DERIVATIVES AHR, TYR, CYP4X1 KDM4E 2533/4885POLB 1222/4885TPMT 364/4885

“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.