SCHEMBL22875409

SCHEMBL22875409

CCCCCCCCCCCCC(=O)OC[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.49
AHCY P23526 1/20 0.49
HSP90B1 P14625 1/20 0.48
EHMT1 Q9H9B1 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL9371177 0.93 BCHE (0.52) BCHEAHCYHSP90B1RXFP1
SCHEMBL9587865 0.85 ADORA1 (0.43)
SCHEMBL9588221 0.85 ADORA1 (0.43)
SCHEMBL6243153 0.85 BCHE (0.55) BCHEAHCYHSP90B1
SCHEMBL21427226 0.85 BCHE (0.55) BCHEAHCYHSP90B1
SCHEMBL6534229 0.84 POLB (0.58) AHCYEHMT1
SCHEMBL5358012 0.84 POLB (0.58) AHCYEHMT1
SCHEMBL9586410 0.84 ADORA1 (0.44)
SCHEMBL22875469 0.82 HINT1 (0.48)
SCHEMBL22875428 0.82 AHCY (0.47) AHCYEHMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210007999-A1 NANOPARTICLE COMPOSITIONS JANUARY THERAPEUTICS, INC. 2021-01-14 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-20210007999-A1 NANOPARTICLE COMPOSITIONS PNP, NTPCR, TYMP BCHE 2333/4885AHCY 292/4885HSP90B1 482/4885

“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.