SCHEMBL12795646

SCHEMBL12795646

COC(=O)C1C[C@@H](OC)CN1B(C)O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.38
ANPEP P15144 3/20 0.38
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.31
BRD4 O60885 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
SCHEMBL85520 1.00 MMP2 (0.38) MMP2ANPEPALDH1A1POLBBRD4
SCHEMBL12795650 0.85 ATM (0.33)
SCHEMBL85612 0.85 ATM (0.33)
SCHEMBL14367083 0.83 MMP2 (0.43) MMP2ANPEPALDH1A1
SCHEMBL2610758 0.81 ALDH1A1 (0.46) MMP2ANPEPALDH1A1POLB
SCHEMBL18084393 0.81 ALDH1A1 (0.46) MMP2ANPEPALDH1A1POLB
SCHEMBL26379162 0.81 PEPD (0.41) MMP2ANPEPALDH1A1POLB
SCHEMBL13661911 0.81 ALDH1A1 (0.46) MMP2ANPEPALDH1A1POLB
SCHEMBL16376157 0.81 ALDH1A1 (0.46) MMP2ANPEPALDH1A1POLB
SCHEMBL2608451 0.81 ALDH1A1 (0.46) MMP2ANPEPALDH1A1POLB

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-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 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-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB MMP2 900/4885ANPEP 3869/4885ALDH1A1 339/4885

“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.