SCHEMBL20840824

SCHEMBL20840824

NCCC1C/C=C/CC/C=C/C(=N\OCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c2C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
MKNK2 Q9HBH9 2/20 0.36
HSP90AB1 P08238 1/20 0.33
MAPT P10636 2/20 0.32
GEMIN4 P57678 1/20 0.32
HSF1 Q00613 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
USP2 O75604 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL12252934 1.00 F13A1 (0.37) F13A1TGM2MKNK2HSP90AB1MAPT
SCHEMBL12253096 0.92 F13A1 (0.39) F13A1TGM2MKNK2HSP90AB1MAPT
SCHEMBL12252573 0.92 F13A1 (0.39) F13A1TGM2MKNK2HSP90AB1MAPT
SCHEMBL12252576 0.92 F13A1 (0.39) F13A1TGM2MKNK2HSP90AB1MAPT
SCHEMBL20840849 0.90 F13A1 (0.35) F13A1TGM2MKNK2HSP90AB1MAPT
SCHEMBL14216641 0.90 F13A1 (0.35) F13A1TGM2MKNK2HSP90AB1MAPT
SCHEMBL17787765 0.90 F13A1 (0.36) F13A1TGM2MKNK2HSP90AB1MAPT
SCHEMBL12384069 0.89 HPGD (0.35) NPC1RAB9ANPSR1
Pochoxime C SCHEMBL4517602 0.88 MKNK2 (0.48) F13A1TGM2MKNK2HSP90AB1MAPT
Pochoxime C SCHEMBL12384141 0.88 MKNK2 (0.48) F13A1TGM2MKNK2HSP90AB1MAPT

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.