SCHEMBL22017454

SCHEMBL22017454

CCCC(C)N1CCOC1=O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
PIK3CD O00329 2/20 0.41
NAAA Q02083 1/20 0.39
GAA P10253 1/20 0.33

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
SCHEMBL22067189 0.89 PIK3CD (0.49) KDM4EPIK3CDNAAAGAA
SCHEMBL13330255 0.85 KDM4E (0.46) KDM4EPIK3CDNAAA
SCHEMBL13256003 0.83 KDM4E (0.41) KDM4EPIK3CDNAAA
SCHEMBL19091731 0.80 PIK3CD (0.46) KDM4EPIK3CDNAAA
SCHEMBL22065917 0.78 PIK3CD (0.45) KDM4EPIK3CDNAAA
SCHEMBL8865732 0.77 KDM4E (0.38) KDM4EPIK3CDNAAA
SCHEMBL19091490 0.77 PIK3CD (0.44) KDM4EPIK3CDNAAA
SCHEMBL22065914 0.77 PIK3CD (0.44) KDM4EPIK3CDNAAA
SCHEMBL1106523 0.76
SCHEMBL9069291 0.75 NAAA (0.48) KDM4EPIK3CDNAAA

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-20200157096-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2020-05-21 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-20200157096-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 KDM4E 3882/4885PIK3CD 2677/4885NAAA 3501/4885

“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.