SCHEMBL709128

SCHEMBL709128

CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
PGD P52209 2/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
ABCB1 P08183 1/20 0.36
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
ALOX15 P16050 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL3810608 1.00 TDP1 (0.60) TDP1PGDPOLBMAPK1ABCB1
SCHEMBL11068081 0.87 TDP1 (0.70) TDP1PGDPOLBMAPK1ABCB1
SCHEMBL7150686 0.87 TDP1 (0.70) TDP1PGDPOLBMAPK1ABCB1
SCHEMBL7150537 0.87 TDP1 (0.70) TDP1PGDPOLBMAPK1ABCB1
SCHEMBL8651044 0.87 TDP1 (0.70) TDP1PGDPOLBMAPK1ABCB1
SCHEMBL7154494 0.87 TDP1 (0.70) TDP1PGDPOLBMAPK1ABCB1
SCHEMBL13615064 0.86 TDP1 (0.62) TDP1PGDPOLBMAPK1ABCB1
SCHEMBL8653297 0.85 TDP1 (0.73) TDP1PGDPOLBMAPK1ABCB1
SCHEMBL7148849 0.85 TDP1 (0.73) TDP1PGDPOLBMAPK1ABCB1
SCHEMBL7152465 0.85 TDP1 (0.73) TDP1PGDPOLBMAPK1ABCB1

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-8124806-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-02-28 US disclosed
EP-1989179-B1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-01-26 EP disclosed
US-20090053142-A1 CONTRAST AGENTS WYNN DUNCAN 2009-02-26 US disclosed
EP-1989179-A1 CONTRAST AGENTS GE Healthcare AS (NO) 2008-11-12 EP disclosed
US-20080260651-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2008-10-23 US disclosed
WO-2007094683-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2007-08-23 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-20090053142-A1 CONTRAST AGENTS IPO4, TPO, IPO11 TDP1 3211/4885PGD 2243/4885POLB 2876/4885
US-20080260651-A1 CONTRAST AGENTS IPO4, TPO, IPO11 TDP1 2931/4885PGD 1372/4885POLB 1993/4885

“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.