SCHEMBL26974149

SCHEMBL26974149

CC(C)(C)OC(=O)[N+]1(C)CC2CC(=O)CC2C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 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
SCHEMBL25962672 0.83 NFKB1 (0.31) NFKB1NFKB2RELAMAPK1
SCHEMBL26048690 0.77 CHRNB2 (0.33)
SCHEMBL27273077 0.74 ALDH1A1 (0.31)
SCHEMBL25473022 0.74 ALDH1A1 (0.31)
SCHEMBL7965908 0.71 NFKB1 (0.32) NFKB1NFKB2RELAMAPK1GAA
SCHEMBL26048597 0.69 MEN1 (0.31) MAPK1
SCHEMBL14896297 0.69 DGAT1 (0.32)
SCHEMBL28029280 0.68 NR1H2 (0.33)
SCHEMBL27459045 0.67 CHRM2 (0.43)
SCHEMBL13727442 0.66 NR1H2 (0.58)

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-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 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-11858939-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 NFKB1 1228/4885NFKB2 681/4885RELA 561/4885

“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.