SCHEMBL6370802

SCHEMBL6370802

COCOC[C@]1(OCc2ccccc2)C[C@H](n2cc(C)c(=O)n(COCc3ccccc3)c2=O)O[C@@H]1CO

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.30
▸ BRD4 O60885 1/20 0.30

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
SCHEMBL6365233 0.84 TYMP (0.31) —
SCHEMBL6363661 0.83 ALDH1A1 (0.34) ALDH1A1BRD4
SCHEMBL6363838 0.81 ALDH1A1 (0.30) ALDH1A1BRD4
SCHEMBL6364648 0.80 — —
SCHEMBL6364837 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL6364884 0.79 ALDH1A1 (0.32) ALDH1A1BRD4
SCHEMBL6358756 0.76 ALDH1A1 (0.34) ALDH1A1BRD4
SCHEMBL6553111 0.76 TYMP (0.32) —
SCHEMBL6364958 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7788368 0.73 PDE4D (0.45) —

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-20050176941-A1 Nucleoside analogues whose sugar moieties are bound in s-form and oligonucleotide derivatives comprising nucleotide analogues thereof TAKESHI IMANISHI (JP) 2005-08-11 — — US disclosed
EP-1486504-A1 NUCLEOSIDE ANALOGUES WHOSE SUGAR MOIETIES ARE BOUND IN S-FORM AND OLIGONUCLEOTIDE DERIVATIVES COMPRISING NUCLEOTIDE ANALOGUES THEREOF Imanishi, Takeshi (JP) 2004-12-15 — — 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-20050176941-A1 Nucleoside analogues whose sugar moieties are bound in s-form and oligonucleotide derivatives comprising nucleotide analogues thereof RNGTT, NSUN2, SNRPE ALDH1A1 951/4885BRD4 3800/4885

“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.

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