SCHEMBL23975372

SCHEMBL23975372

O=C(NCCCCCCCCCCCCNC1CCCCCC1)C1CCCC1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.68
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
CXCR4 P61073 1/20 0.54
SIGMAR1 Q99720 1/20 0.50
NAMPT P43490 1/20 0.49
EPHX1 P07099 10/20 0.49
EPHX2 P34913 2/20 0.47
GNAI3 P08754 1/20 0.46
GNAO1 P09471 1/20 0.46
GNAI1 P63096 1/20 0.46

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
SCHEMBL21842323 1.00 NAAA (0.68) NAAAKEAP1NFE2L2CXCR4SIGMAR1
SCHEMBL23975246 1.00 NAAA (0.68) NAAAKEAP1NFE2L2CXCR4SIGMAR1
SCHEMBL21842296 0.98 NAAA (0.65) NAAAKEAP1NFE2L2CXCR4SIGMAR1
SCHEMBL21842361 0.98 NAAA (0.65) NAAAKEAP1NFE2L2CXCR4SIGMAR1
SCHEMBL17172545 0.89 NAAA (0.82) NAAAKEAP1NFE2L2NAMPTEPHX1
SCHEMBL23975142 0.87 NAAA (0.60) NAAAKEAP1NFE2L2CXCR4NAMPT
SCHEMBL23975371 0.85 NAAA (0.54) NAAAKEAP1NFE2L2CXCR4SIGMAR1
SCHEMBL23975248 0.85 NAAA (0.54) NAAAKEAP1NFE2L2CXCR4SIGMAR1
SCHEMBL21842289 0.81 NAAA (0.50) NAAAKEAP1NFE2L2CXCR4SIGMAR1
SCHEMBL23975136 0.81 SMN1; SMN2 (0.64) NAAAKEAP1NFE2L2EPHX1EPHX2

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-20210338825-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-04 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-20210338825-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN HAVCR2, CUL4A, PSMC3 NAAA 914/4885KEAP1 194/4885NFE2L2 2020/4885

“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.