SCHEMBL17286193

SCHEMBL17286193

CCOC(=O)COCCCCCCCCCCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.56
CA1 P00915 5/20 0.56
CA2 P00918 5/20 0.56
CA9 Q16790 5/20 0.56
TDP1 Q9NUW8 1/20 0.55
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
ACHE P22303 6/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL17941165 1.00 CA12 (0.56) CA12CA1CA2CA9TDP1
SCHEMBL31683431 0.99 CA12 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL17286165 0.96 CA12 (0.51) CA12CA1CA2CA9TDP1
SCHEMBL21068292 0.96 CA12 (0.52) CA12CA1CA2CA9TDP1
SCHEMBL29894726 0.94 TDP1 (0.50) CA12CA1CA2CA9TDP1
SCHEMBL22047815 0.93 CA12 (0.52) CA12CA1CA2CA9TDP1
SCHEMBL21068476 0.92 TDP1 (0.48) CA12CA1CA2CA9TDP1
SCHEMBL2799460 0.88 TDP1 (0.45) CA12CA1CA2CA9TDP1
SCHEMBL28800875 0.87 TDP1 (0.58) CA12CA1CA2CA9TDP1
SCHEMBL21070375 0.86 TDP1 (0.43) CA12CA1CA2CA9TDP1

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-20170183297-A1 OMEGA-3 ANALOGUES THE UNIVERSITY OF SYDNEY (AU) 2017-06-29 US disclosed
US-20170183297-A1 OMEGA-3 ANALOGUES THE UNIVERSITY OF SYDNEY (AU) 2017-06-29 US disclosed
WO-2015176135-A1 OMEGA-3 ANALOGUES THE UNIVERSITY OF SYDNEY (AU) 2015-11-26 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-20170183297-A1 OMEGA-3 ANALOGUES ELOVL3, PTGER3, PTGES3 CA12 3829/4885CA1 4681/4885CA2 4335/4885

“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.