SCHEMBL16627111

SCHEMBL16627111

CC(=O)OCOC(=O)c1cc(C)cc(C(=O)OCOC(C)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
MYC P01106 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
SLC7A5 Q01650 1/20 0.40
TPMT P51580 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7693802 0.81 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL16627110 0.81 TDP1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL265366 0.79 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL394178 0.79 TDP1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL13307515 0.77 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL27613494 0.77 TPMT (0.53) CA12CA1CA2CA7CA9
SCHEMBL23817425 0.76 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL4859473 0.75 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL14107663 0.74 SERPINE1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL2652364 0.74 LMNA (0.58) TDP1ALDH1A1LMNAL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160235866-A1 MRI CONTRAST AGENTS FOR CELL LABELING THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-08-18 US disclosed
US-20160235866-A1 MRI CONTRAST AGENTS FOR CELL LABELING THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-08-18 US disclosed
WO-2015048912-A1 MRI CONTRAST AGENTS FOR CELL LABELING THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2015-04-09 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-20160235866-A1 MRI CONTRAST AGENTS FOR CELL LABELING MPI, HMBS, TSPO CA12 833/4885CA1 525/4885CA2 856/4885

“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.