SCHEMBL2870616

SCHEMBL2870616

C=CCOCC(C)(C)N(C(=O)O)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 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
SCHEMBL13583780 0.74
SCHEMBL12581238 0.74 ACLY (0.35) L3MBTL1MEN1POLBKMT2A
SCHEMBL2866746 0.72 CYP4F2 (0.34)
SCHEMBL21340475 0.72 TSHR (0.38) L3MBTL1MEN1POLBKMT2A
SCHEMBL25315695 0.69 GGT1 (0.37) L3MBTL1MEN1POLBKMT2A
SCHEMBL24633725 0.69 GGT1 (0.37) L3MBTL1MEN1POLBKMT2A
SCHEMBL25315606 0.69 GGT1 (0.37) L3MBTL1MEN1POLBKMT2A
SCHEMBL1892027 0.69 MEN1 (0.46) L3MBTL1MEN1POLBKMT2A
Pivalate SCHEMBL9055894 0.69 TDP1 (0.35) L3MBTL1MEN1POLBKMT2A
SCHEMBL4447829 0.68 ALDH1A1 (0.33)

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
EP-2120965-B1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS INC (US) 2014-11-05 EP disclosed
US-8415497-B2 N-halogenated amino compounds and derivatives NOVABAY PHARMACEUTICALS, INC. (US) 2013-04-09 US disclosed
US-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. 2010-12-09 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-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES DCTD, DDC, DAO L3MBTL1 1481/4885MEN1 2339/4885POLB 166/4885

“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.