SCHEMBL4982389

SCHEMBL4982389

COC(C=O)=Cc1ccc(B(O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
ENPP2 Q13822 2/20 0.47
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
TTR P02766 1/20 0.41

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
SCHEMBL728134 0.77 ALDH1A1 (0.55)
SCHEMBL21879712 0.77 ALDH1A1 (0.55)
SCHEMBL6767798 0.70 KDM4E (0.54) KDM4ECA2CA1ENPP2TUBB4A
SCHEMBL5840 0.69 KDM4E (1.00) KDM4ECA2CA1ENPP2TTR
SCHEMBL7228423 0.68 NR1H4 (0.58) KDM4E
SCHEMBL4454529 0.68 TUBB4A (0.77) KDM4ECA2CA1ENPP2TUBB4A
SCHEMBL4454526 0.68 TUBB4A (0.77) KDM4ECA2CA1ENPP2TUBB4A
SCHEMBL1490524 0.68 CA12 (0.66) KDM4ECA2CA1TUBB4ATUBB
SCHEMBL257714 0.68 CA12 (0.66) KDM4ECA2CA1TUBB4ATUBB
Methane SCHEMBL28841002 0.68 KDM4E (0.95) KDM4ECA2CA1ENPP2TTR

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-7345058-B2 (1-Methyl-5-phenyl-1H-pyrazol-4-yl)-(trans-octahydro-isoquinolin-2-yl)methanone; 11 beta -hydroxysteroid dehydrogenase inhibitor; upregulation of phosphoenolpyruvate carboxykinase (PEPCK) and glucose-6-phosphatase (G6Pase); antidiabetic agent; type II diabetes mellitus and metabolic syndrome HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
US-20060223852-A1 Pyrazoles GILLESPIE PAUL 2006-10-05 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-20060223852-A1 Pyrazoles GPR119, PDK2, PC KDM4E 4119/4885CA2 3975/4885CA1 4817/4885

“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.