SCHEMBL24913430

SCHEMBL24913430

CC1CCCC(C2CCCCC2)C1N

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
NOS1 P29475 6/20 0.33
NOS3 P29474 5/20 0.33
NOS2 P35228 5/20 0.33
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL9626991 0.98 CA1 (0.39) CA1CA2CA4NOS1NOS3
SCHEMBL598869 0.78 CA1 (0.46) CA1CA2CA4NOS1NOS3
SCHEMBL4616915 0.78 CA1 (0.46) CA1CA2CA4NOS1NOS3
SCHEMBL6898227 0.78 CA1 (0.46) CA1CA2CA4NOS1NOS3
SCHEMBL23952890 0.78 CA1 (0.46) CA1CA2CA4NOS1NOS3
SCHEMBL283721 0.78 CA1 (0.46) CA1CA2CA4NOS1NOS3
SCHEMBL6250904 0.78 CA1 (0.46) CA1CA2CA4NOS1NOS3
SCHEMBL7724695 0.78 CA1 (0.46) CA1CA2CA4NOS1NOS3
SCHEMBL6894837 0.78 CA1 (0.46) CA1CA2CA4NOS1NOS3
SCHEMBL6897202 0.78 CA1 (0.46) CA1CA2CA4NOS1NOS3

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-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-26 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-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 CA1 4662/4885CA2 4663/4885CA4 2670/4885

“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.