SCHEMBL16670596

SCHEMBL16670596

COc1cc(C=CCO)ccc1OOC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.51
JUN P05412 1/20 0.51
NFKB1 P19838 1/20 0.51
FDPS P14324 2/20 0.50
PTGS1 P23219 1/20 0.49
APP P05067 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
VCP P55072 1/20 0.47
KMT2A Q03164 2/20 0.47
ABCG2 Q9UNQ0 2/20 0.47
MEN1 O00255 1/20 0.47
MMP9 P14780 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL2679429 0.84 PTGS1 (0.54) NFE2L2PTGS1KDM4EALDH1A1HPGD
SCHEMBL30625282 0.83 CYP1A1 (0.61) NFE2L2PTGS1APPKDM4EALDH1A1
SCHEMBL2458079 0.83 CYP1A1 (0.61) NFE2L2PTGS1APPKDM4EALDH1A1
SCHEMBL1301186 0.83 CYP1A1 (0.61) NFE2L2PTGS1APPKDM4EALDH1A1
SCHEMBL1301189 0.83 CYP1A1 (0.61) NFE2L2PTGS1APPKDM4EALDH1A1
SCHEMBL8937934 0.82 KDM4E (0.75) NFE2L2JUNNFKB1FDPSPTGS1
SCHEMBL9553292 0.81 ALDH1A1 (0.66) JUNNFKB1FDPSKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8937884 0.81 KDM4E (0.73) NFE2L2JUNNFKB1FDPSPTGS1
SCHEMBL432841 0.81 JUN (0.58) NFE2L2JUNNFKB1FDPSAPP
Malonic Acid SCHEMBL27751245 0.80 NFE2L2 (0.61) NFE2L2FDPSPTGS1APPKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783474-B2 Catalytic biomass conversion methods, catalysts, and methods of making the same PURDUE RESEARCH FOUNDATION (US) 2017-10-10 US disclosed
US-20160289150-A1 CATALYTIC BIOMASS CONVERSION METHODS, CATALYSTS, AND METHODS OF MAKING THE SAME PURDUE RESEARCH FOUNDATION (US) 2016-10-06 US disclosed
EP-3060718-A1 CATALYTIC BIOMASS CONVERSION METHODS, CATALYSTS, AND METHODS OF MAKING THE SAME Purdue Research Foundation (US) 2016-08-31 EP disclosed
WO-2015061802-A1 CATALYTIC BIOMASS CONVERSION METHODS, CATALYSTS, AND METHODS OF MAKING THE SAME PURDUE RESEARCH FOUNDATION (US) 2015-04-30 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 (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-20160289150-A1 CATALYTIC BIOMASS CONVERSION METHODS, CATALYSTS, AND METHODS OF MAKING THE SAME HAO2, HPD, HAAO NFE2L2 645/4885JUN 1050/4885NFKB1 4211/4885

“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.