SCHEMBL19507936

SCHEMBL19507936

CC(=O)C(C)CCCN=[N+]=[N-]

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ CNR2 P34972 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
SCHEMBL16574791 0.84 BLM (0.47) MEN1NOS3NOS1CYP2C19NOS2
SCHEMBL16920503 0.78 LTA4H (0.46) CA1NOS3NOS1NOS2BLM
SCHEMBL16574757 0.78 LTA4H (0.46) CA1NOS3NOS1NOS2BLM
SCHEMBL17551030 0.77 — —
SCHEMBL12153331 0.75 CA1 (0.48) CA1BLM
SCHEMBL15586875 0.73 — —
SCHEMBL16574792 0.73 — —
SCHEMBL15456968 0.73 CA1 (0.34) CA1MEN1CYP2C19KMT2ACNR2
SCHEMBL12153332 0.73 CA1 (0.46) CA1BLM
SCHEMBL27809324 0.71 GABRR1 (0.46) BLM

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-20170304420-A1 POLYMER ADJUVANT OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-10-26 — — 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-20170304420-A1 POLYMER ADJUVANT TLR3, TLR9, TLR1 CA1 2754/4885ALOX5 488/4885MEN1 3645/4885

“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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