SCHEMBL3186705

SCHEMBL3186705

COP(=O)(CC(=O)ONC(=O)OC(C)(C)C)OC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.37
CA2 P00918 3/20 0.37
CA14 Q9ULX7 3/20 0.37
CA1 P00915 3/20 0.33
CA9 Q16790 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA7 P43166 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP2D6 P10635 1/20 0.33
DGAT1 O75907 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
APLNR P35414 1/20 0.31
CTSK P43235 2/20 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
SCHEMBL421908 0.80 DGAT1 (0.35) CA12CA2CA14CYP2D6DGAT1
SCHEMBL5229803 0.77 MGAM (0.33) GAA
SCHEMBL28346521 0.74 TDP1 (0.43) CA12CA2CA14CA1CA9
SCHEMBL20572704 0.74 CA2 (0.40) CA12CA2CA14CA1CA9
SCHEMBL1949382 0.74 CA12 (0.40) CA12CA2CA14CA1CA9
SCHEMBL28206658 0.73 CA2 (0.39) CA12CA2CA14CA1CA9
SCHEMBL28363958 0.72 TSHR (0.54) CA12CA2CA14CA1CA9
SCHEMBL28691228 0.72 TSHR (0.33) GAA
SCHEMBL18985138 0.72 TDP1 (0.44) CA12CA2CA14CA1CA9
SCHEMBL377844 0.72 ALDH1A1 (0.41) CA12CA2CA14CA1CA9

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-7655643-B2 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2010-02-02 US disclosed
US-20070099885-A1 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2007-05-03 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-20070099885-A1 Antibacterial macrocycles with substituted biphenyl NOD2, AHR, BCL2 CA12 4820/4885CA2 4793/4885CA14 4710/4885

“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.