SCHEMBL935705

SCHEMBL935705

COC(=O)C(=Cc1ccc(O)c(OC)c1)C(=O)OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.74
GLO1 Q04760 5/20 0.67
ABL1 P00519 1/20 0.67
IKBKB O14920 1/20 0.62
CHUK O15111 1/20 0.62
IKBKG Q9Y6K9 1/20 0.62
TDP1 Q9NUW8 3/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.60
TRIM24 O15164 1/20 0.60
ALDH5A1 P51649 1/20 0.60
ABAT P80404 1/20 0.60
TRIM33 Q9UPN9 1/20 0.60
CYP2D6 P10635 3/20 0.59
SNCA P37840 3/20 0.59
APP P05067 3/20 0.59
CYP2C9 P11712 2/20 0.59
TSHR P16473 2/20 0.59
HSD17B10 Q99714 2/20 0.59
CYP1A2 P05177 2/20 0.59

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
SCHEMBL16307895 0.97 MAPT (0.74) MAPTGLO1ABL1IKBKBCHUK
SCHEMBL5597202 0.92 MAPT (0.68) MAPTGLO1ABL1IKBKBCHUK
SCHEMBL6380063 0.87 ALDH1A1 (0.60) MAPTTDP1ALDH1A1APPCYP1A2
Methyl 3,4-Dimethoxybenzalmalonate SCHEMBL14462724 0.87 GAA (0.73) MAPTGLO1IKBKBCHUKIKBKG
SCHEMBL7523992 0.85 MAPT (1.00) MAPTGLO1ABL1IKBKBCHUK
SCHEMBL2213640 0.85 MAPT (0.77) MAPTGLO1ABL1IKBKBCHUK
SCHEMBL934307 0.85 MAPT (0.70) MAPTGLO1ABL1IKBKBCHUK
SCHEMBL933587 0.85 MAPT (0.67) MAPTGLO1ABL1IKBKBCHUK
SCHEMBL20162241 0.85 TOP2A (0.62) MAPTGLO1ABL1ALDH1A1GAA
SCHEMBL168150 0.85 MAPT (0.67) MAPTGLO1ABL1IKBKBCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
EP-3322400-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS Merck Patent GmbH (DE) 2018-05-23 EP disclosed
WO-2011006566-A2 MONOMETHOXY-HYDROXY-BENZYLMALONATES MERCK PATENT GMBH (DE) 2011-01-20 WO disclosed
US-20070010579-A1 Copper salts of organic acids and use thereof as fungicides ISARGO S.P.A. (IT) 2007-01-11 US disclosed
EP-1633190-A1 COPPER SALTS OF ORGANIC ACIDS AND USE THEREOF AS FUNGICIDES ISAGRO S.p.A. (IT) 2006-03-15 EP disclosed
WO-2004103074-A1 COPPER SALTS OF ORGANIC ACIDS AND USE THEREOF AS FUNGICIDES ISAGRO S.P.A. (IT) 2004-12-02 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-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS LPO, CAT, GPX4 MAPT 1864/4885GLO1 255/4885ABL1 4102/4885
US-20070010579-A1 Copper salts of organic acids and use thereof as fungicides AOC3, AOC2, AOC1 MAPT 679/4885GLO1 279/4885ABL1 686/4885

“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.