SCHEMBL516506

SCHEMBL516506

Cc1ccc(N(C(=O)OC(C)(C)C)c2ccc(N(c3ccc(C)cc3)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.41
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
USP30 Q70CQ3 2/20 0.39
HIF1A Q16665 1/20 0.38
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
F2 P00734 1/20 0.36
F11 P03951 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
LPL P06858 6/20 0.36
LIPG Q9Y5X9 6/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
DGAT1 O75907 1/20 0.35
P4HB P07237 1/20 0.34
MT-CO2 P00403 1/20 0.34

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
SCHEMBL2490873 0.83 LIPG (0.44) HIF1AF2F11PRSS1PRSS2
SCHEMBL18204544 0.81 BACE1 (0.45) AAK1BACE1BACE2USP30PRMT5
SCHEMBL12185974 0.81 BACE1 (0.49) AAK1BACE1BACE2USP30PRMT5
SCHEMBL18016692 0.80 LPL (0.51) HIF1AF11LPLLIPGCA1
SCHEMBL1505745 0.80 LPL (0.51) HIF1AF11LPLLIPGCA1
SCHEMBL12890199 0.80 LPL (0.51) HIF1AF11LPLLIPGCA1
SCHEMBL484122 0.80 AAK1 (0.45) AAK1BACE1BACE2USP30PRMT5
SCHEMBL14293982 0.79 MT-CO2 (0.41) CA1CA2CA9MT-CO2
SCHEMBL2595119 0.79 AAK1 (0.45) AAK1BACE1BACE2USP30PRMT5
SCHEMBL21401590 0.79 MT-CO2 (0.47) MT-CO2

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-20120024382-A1 NOVEL COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE IN HETEROJUNCTION DEVICES THE UNIVERSITY OF ULM (DE) 2012-02-02 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-20120024382-A1 NOVEL COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE IN HETEROJUNCTION DEVICES DDT, DCX, PIN1 AAK1 1949/4885BACE1 1226/4885BACE2 1066/4885

“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.