SCHEMBL10067167

SCHEMBL10067167

CO[C@@H](c1ccccc1)[C@@H]1COC(C)(C)O1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.36
HCRTR2 O43614 5/20 0.35
HCRTR1 O43613 3/20 0.35
IDO1 P14902 4/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 0.35
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL18343987 0.82 HCRTR2 (0.36) L3MBTL1HCRTR2HCRTR1SLC6A4SLC6A2
SCHEMBL6267005 0.77 L3MBTL1 (0.39) L3MBTL1SLC6A4SLC6A2SLC6A3
SCHEMBL7294198 0.77 EPHX1 (0.55) EPHX1IDO1SLC6A4SLC6A2SLC6A3
SCHEMBL20338123 0.77 LPL (0.31) HCRTR2HCRTR1SLC6A4SLC6A2SLC6A3
SCHEMBL1692211 0.76 HCRTR2 (0.34) L3MBTL1HCRTR2HCRTR1TMEM97SIGMAR1
SCHEMBL1692478 0.76 HCRTR2 (0.34) L3MBTL1HCRTR2HCRTR1TMEM97SIGMAR1
SCHEMBL14366914 0.75 L3MBTL1 (0.39) EPHX1L3MBTL1HCRTR2HCRTR1TMEM97
SCHEMBL1697504 0.75 CHRNB4 (0.38) L3MBTL1HCRTR2HCRTR1TMEM97SIGMAR1
SCHEMBL15308831 0.75 CHRNB4 (0.38) L3MBTL1HCRTR2HCRTR1TMEM97SIGMAR1
SCHEMBL15308721 0.75 CHRNB4 (0.38) L3MBTL1HCRTR2HCRTR1TMEM97SIGMAR1

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-8119653-B2 Belactosin derivatives as therapeutic agents/biological probes and their synthesis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-02-21 US disclosed
US-20090042922-A1 NOVEL BELACTOSIN DERIVATIVES AS THERAPEUTIC AGENTS/BIOLOGICAL PROBES AND THEIR SYNTHESIS NATIONAL SCIENCE FOUNDATION 2009-02-12 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-20090042922-A1 NOVEL BELACTOSIN DERIVATIVES AS THERAPEUTIC AGENTS/BIOLOGICAL PROBES AND THEIR SYNTHESIS PSMB1, PSMB10, PBK EPHX1 4197/4885L3MBTL1 125/4885HCRTR2 4468/4885

“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.