SCHEMBL16858818

SCHEMBL16858818

CNC(=O)OC1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 2/20 0.40
▸ DGAT1 O75907 1/20 0.39
▸ HIF1A Q16665 2/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ F11 P03951 3/20 0.36
▸ F2 P00734 2/20 0.36
▸ PRSS1 P07477 2/20 0.36
▸ PRSS2 P07478 2/20 0.36
▸ PRSS3 P35030 2/20 0.36
▸ LIPG Q9Y5X9 3/20 0.35
▸ LPL P06858 2/20 0.35
▸ CA1 P00915 4/20 0.35
▸ CA2 P00918 4/20 0.35
▸ CA9 Q16790 4/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35

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
SCHEMBL21436074 0.78 LPL (0.38) AAK1DGAT1HIF1AF11LIPG
SCHEMBL16908889 0.78 CA1 (0.40) AAK1DGAT1HIF1APRMT5WDR77
SCHEMBL28817158 0.76 AAK1 (0.38) AAK1DGAT1HIF1APRMT5WDR77
SCHEMBL22657406 0.71 AAK1 (0.43) AAK1DGAT1HIF1APRMT5WDR77
SCHEMBL29538696 0.69 AAK1 (0.46) AAK1DGAT1HIF1APRMT5WDR77
SCHEMBL15276722 0.69 AAK1 (0.46) AAK1DGAT1HIF1APRMT5WDR77
SCHEMBL10274517 0.68 AAK1 (0.45) AAK1DGAT1HIF1APRMT5WDR77
SCHEMBL10226740 0.68 AAK1 (0.45) AAK1DGAT1HIF1APRMT5WDR77
SCHEMBL4549947 0.68 AAK1 (0.49) AAK1DGAT1HIF1APRMT5WDR77
SCHEMBL13579053 0.68 AAK1 (0.47) AAK1DGAT1HIF1APRMT5WDR77

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 — — US disclosed
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE INC (JP) 2015-07-02 — — 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-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same PBDC1, SBK1, PLK2 AAK1 347/4885DGAT1 3437/4885HIF1A 4423/4885

“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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