SCHEMBL19007797

SCHEMBL19007797

CCOC(=O)CC(=O)OCOC(=O)CS(=O)(=O)O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.60
MGAM O43451 1/20 0.60
SI P14410 1/20 0.60
MGAM2 Q2M2H8 1/20 0.60
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.40
TRPA1 O75762 1/20 0.40
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 1/20 0.34
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL47545 0.89 GAA (0.52) GAAMGAMSIMGAM2KMT2A
SCHEMBL11604881 0.87 GAA (0.50) GAAMGAMSIMGAM2KMT2A
SCHEMBL7009464 0.87 GAA (0.50) GAAMGAMSIMGAM2KMT2A
SCHEMBL25612817 0.82 GAA (0.88) GAAMGAMSIMGAM2KMT2A
SCHEMBL47576 0.81 NAAA (0.39) GAAMGAMSIMGAM2KMT2A
SCHEMBL15383923 0.79 KMT2A (0.37) GAAMGAMSIMGAM2KMT2A
Malonic Acid Diethyl Ester SCHEMBL1864301 0.78 GAA (1.00) GAAMGAMSIMGAM2KMT2A
Malonic Acid Diethyl Ester SCHEMBL1331187 0.78 GAA (1.00) GAAMGAMSIMGAM2KMT2A
Malonic Acid Diethyl Ester SCHEMBL8636 0.78 GAA (1.00) GAAMGAMSIMGAM2KMT2A
Malonic Acid Diethyl Ester SCHEMBL1331824 0.78 GAA (1.00) GAAMGAMSIMGAM2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170176855-A1 RESIST COMPOSITION, METHOD FOR FORMING RESIST PATTERN, ACID GENERATOR AND COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2017-06-22 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-20170176855-A1 RESIST COMPOSITION, METHOD FOR FORMING RESIST PATTERN, ACID GENERATOR AND COMPOUND RB1, FXR1, GAR1 GAA 2855/4885MGAM 4492/4885SI 4835/4885

“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.