SCHEMBL994823

SCHEMBL994823

CC(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)n(COCC(C)c3ccccc3[N+](=O)[O-])c2=O)C[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.34
BCHE P06276 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL12932123 0.91 LMNA (0.34) TYMS
SCHEMBL992342 0.91 LMNA (0.34) TYMS
SCHEMBL12932117 0.91 LMNA (0.34) TYMS
SCHEMBL993419 0.90 TYMS (0.33) TYMSBCHEPOLB
SCHEMBL993030 0.85 TYMP (0.40) TYMS
SCHEMBL993031 0.79
SCHEMBL2521252 0.78 POLB (0.47) TYMSBCHEPOLB
SCHEMBL6891978 0.78 POLB (0.47) TYMSBCHEPOLB
SCHEMBL13666501 0.78 POLB (0.47) TYMSBCHEPOLB
SCHEMBL7269281 0.76 POLB (0.47) TYMSBCHEPOLB

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-20110009607-A1 METHOD FOR PREPARING DNA FRAGMENT HAVING STICKY END THE UNIVERSITY OF TOKYO (JP) 2011-01-13 US disclosed
EP-2270142-A1 METHOD OF PREPARING DNA FRAGMENT HAVING STICKY END The University of Tokyo (JP) 2011-01-05 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-20110009607-A1 METHOD FOR PREPARING DNA FRAGMENT HAVING STICKY END POLB, POLL, POLN TYMS 161/4885BCHE 3628/4885POLB 1/4885

“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.