SCHEMBL19935165

SCHEMBL19935165

CC(=O)NCCCC[C@H](NC(C)C)C(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ FOLH1 Q04609 2/20 0.44
▸ PAOX Q6QHF9 3/20 0.40
▸ ADRA1A P35348 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ SIRT5 Q9NXA8 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ EPHX1 P07099 2/20 0.33
▸ ZDHHC7 Q9NXF8 1/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CTSK P43235 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
SCHEMBL19483324 0.84 KDM4E (0.48) KDM4EMAPK1HIF1AFOLH1PAOX
SCHEMBL19483322 0.84 KDM4E (0.48) KDM4EMAPK1HIF1AFOLH1PAOX
SCHEMBL20235708 0.83 KDM4E (0.52) KDM4EMAPK1HIF1AFOLH1PAOX
SCHEMBL20650879 0.83 TP53BP1 (0.33) CTSK
SCHEMBL26654410 0.83 TP53BP1 (0.33) CTSK
SCHEMBL12055210 0.81 KDM4E (0.48) KDM4EMAPK1HIF1AFOLH1PAOX
SCHEMBL16231519 0.81 KDM4E (0.48) KDM4EMAPK1HIF1AFOLH1PAOX
SCHEMBL20235709 0.79 KDM4E (0.47) KDM4EMAPK1HIF1AFOLH1PAOX
SCHEMBL20850017 0.78 CTSK (0.48) MAPK1CA1CA2CTSK
SCHEMBL20445424 0.78 CTSK (0.35) EPHX1CTSK

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-20180066070-A1 ACETYLATED PCSK9 UNIVERSITAT ZURICH (CH) 2018-03-08 — — 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-20180066070-A1 ACETYLATED PCSK9 PCSK9, CETP, PCSK7 KDM4E 631/4885MAPK1 3629/4885HIF1A 3792/4885

“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.

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