SCHEMBL2064367

SCHEMBL2064367

CC(C)(C)OC(=O)[N+]1(C(=O)OC(C)(C)C)CCCCCC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33
DGAT1 O75907 1/20 0.32
GAA P10253 1/20 0.32
EPHX1 P07099 2/20 0.31
CTSK P43235 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2877401 0.92 DGAT1 (0.36) DGAT1GAAEPHX1
SCHEMBL4011681 0.90 HPGD (0.30) HPGD
SCHEMBL2436431 0.90 DGAT1 (0.38) DGAT1
SCHEMBL2434403 0.87 BTK (0.31) DGAT1
SCHEMBL9554578 0.85
SCHEMBL6497827 0.83
SCHEMBL6320796 0.83 BTK (0.31) DGAT1
SCHEMBL5568399 0.80 HPGD (0.32) HPGDDGAT1GAAEPHX1CTSK
SCHEMBL6608329 0.80 HPGD (0.32) HPGDDGAT1GAAEPHX1CTSK
SCHEMBL5421441 0.78 HPGD (0.31) HPGDDGAT1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785625-B2 Compound having heterocyclic ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-07-22 US disclosed
EP-2009012-B1 NOVEL COMPOUND HAVING HETEROCYCLIC RING RES FOUND ITSUU LAB (JP) 2014-06-25 EP disclosed
US-20120208997-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING SUZUKI HIDEYUKI (JP) 2012-08-16 US disclosed
US-8148362-B2 Compound having heterocyclic ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-04-03 US disclosed
EP-2181994-A1 Antimicrobial compounds Research Foundation Itsuu Laboratory (JP) 2010-05-05 EP disclosed
EP-2181993-A1 Antimicrobial oxazolidinone derivatives Research Foundation Itsuu Laboratory (JP) 2010-05-05 EP disclosed
US-20090299059-A1 Novel Compound Having Heterocyclic Ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-12-03 US disclosed
EP-2009012-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING Research Foundation Itsuu Laboratory (JP) 2008-12-31 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 (2 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-20090299059-A1 Novel Compound Having Heterocyclic Ring NR0B2, NR2C2, NR0B1 HPGD 3680/4885DGAT1 4589/4885GAA 4762/4885
US-20120208997-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING OXA1L, MRPL21, TOP1 HPGD 2219/4885DGAT1 4171/4885GAA 2561/4885

“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.