SCHEMBL13836558

SCHEMBL13836558

O=C1C=C[C@H](NC(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 5/20 0.44
NFKB2 Q00653 5/20 0.44
RELA Q04206 5/20 0.44

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
SCHEMBL26983435 0.80 NFKB1 (0.64) NFKB1NFKB2RELA
SCHEMBL6917362 0.75 NFKB1 (0.75) NFKB1NFKB2RELA
SCHEMBL25567964 0.75 NFKB1 (0.75) NFKB1NFKB2RELA
SCHEMBL2083008 0.69 POLB (0.33) NFKB1NFKB2RELA
SCHEMBL4279003 0.69 NFKB1 (0.34) NFKB1NFKB2RELA
SCHEMBL3014862 0.66
SCHEMBL19420224 0.66
SCHEMBL18709794 0.66
SCHEMBL8694078 0.65
SCHEMBL10673332 0.65 ITGB3 (0.34) NFKB1NFKB2RELA

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-20120295923-A1 Aminocyclohexanes and Aminotetrahydropyrans and Related Compounds As Gamma-Secretase Modulators PFIZER INC. 2012-11-22 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-20120295923-A1 Aminocyclohexanes and Aminotetrahydropyrans and Related Compounds As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 NFKB1 1959/4885NFKB2 2156/4885RELA 2433/4885

“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.