SCHEMBL14944205

SCHEMBL14944205

C[C@H](CC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CTSK P43235 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 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
MMP8 P22894 1/20 0.32
CTSS P25774 1/20 0.31
APLNR P35414 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 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
SCHEMBL14087668 1.00 CA1 (0.36) CA1CA2CA7NOS1NOS3
SCHEMBL2687921 0.82 NOS1 (0.38) CA1CA2CA7NOS1NOS3
SCHEMBL19008049 0.82 NOS1 (0.38) CA1CA2CA7NOS1NOS3
SCHEMBL14593924 0.81 CA1 (0.38) CA1CA2CA7NOS1NOS3
SCHEMBL22080323 0.81 CA1 (0.33) CA1CA2CA7NOS1NOS3
SCHEMBL24719148 0.80 NOS1 (0.37) CA1CA2CA7NOS1NOS3
SCHEMBL18775065 0.79 CA1 (0.33) CA1CA2CA7NOS1NOS3
SCHEMBL20499832 0.79 MMP8 (0.32) MMP8
SCHEMBL16665545 0.79 CA1 (0.37) CA1CA2CA7NOS1NOS3
SCHEMBL12309460 0.79 CA1 (0.37) CA1CA2CA7NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796641-B2 Stabilization of radiosynthetic intermediates TRASIS S.A. (BE) 2017-10-24 US disclosed
US-20160075615-A1 Stabilization of Radiosynthetic Intermediates TRASIS S.A. (BE) 2016-03-17 US disclosed
EP-2278399-B1 Positive-working resist composition FUJIFILM CORP (JP) 2013-05-15 EP 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-20160075615-A1 Stabilization of Radiosynthetic Intermediates AADAT, RNF168, APEX1 CA1 2392/4885CA2 4034/4885CA7 3012/4885

“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.