SCHEMBL20840825

SCHEMBL20840825

N=C1/C=C/CC/C=C/CC(CCN)OC(=O)c2c(O)cc(O)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
MKNK2 Q9HBH9 6/20 0.43
HSP90AB1 P08238 3/20 0.41
GEMIN4 P57678 1/20 0.38
HSF1 Q00613 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP19A1 P11511 1/20 0.37
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
CCNA1 P78396 3/20 0.36
MKNK1 Q9BUB5 3/20 0.36
PLK4 O00444 2/20 0.36
CDK1 P06493 2/20 0.36
AXL P30530 2/20 0.36

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
SCHEMBL17787736 0.90 F13A1 (0.47) F13A1TGM2MKNK2HSP90AB1GEMIN4
SCHEMBL20840808 0.84 HSP90AB1 (0.56) MKNK2HSP90AB1MAPTRAB9ANPSR1
SCHEMBL19418195 0.83 MKNK2 (0.63) F13A1TGM2MKNK2HSP90AB1GEMIN4
SCHEMBL4510614 0.83 MKNK2 (0.63) F13A1TGM2MKNK2HSP90AB1GEMIN4
SCHEMBL19418365 0.79 F13A1 (0.48) F13A1TGM2MKNK2HSP90AB1GEMIN4
SCHEMBL10150033 0.79 F13A1 (0.59) F13A1TGM2MKNK2HSP90AB1GEMIN4
SCHEMBL19418371 0.78 F13A1 (0.45) F13A1TGM2MKNK2HSP90AB1GEMIN4
SCHEMBL19418311 0.78 F13A1 (0.45) F13A1TGM2MKNK2HSP90AB1GEMIN4
SCHEMBL20840810 0.77 F13A1 (0.40) F13A1TGM2MKNK2HSP90AB1GEMIN4
SCHEMBL20840824 0.76 F13A1 (0.37) F13A1TGM2MKNK2HSP90AB1GEMIN4

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-10239856-B2 Synthesis of resorcylic acid lactones useful as therapeutic agents UNIVERSITY DE STRASBOURG (FR) 2019-03-26 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-10239856-B2 Synthesis of resorcylic acid lactones useful as therapeutic agents HSP90AA1, HSP90AB1, HSP90AB2P F13A1 3830/4885TGM2 2199/4885MKNK2 60/4885

“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.