SCHEMBL22855562

SCHEMBL22855562

C=CCN(C/C=C/CN(CC=C)C(=O)C(C)=O)C(=O)C(=C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
DPP4 P27487 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL18435766 0.94 ALDH1A1 (0.42) ALDH1A1DPP4SMN1; SMN2
SCHEMBL131046 0.88 ALDH1A1 (0.46) ALDH1A1DPP4SMN1; SMN2
SCHEMBL20287506 0.87 ALDH1A1 (0.37) ALDH1A1
Ammonia Solution, Strong SCHEMBL28035861 0.86 ALDH1A1 (0.45) ALDH1A1DPP4SMN1; SMN2
SCHEMBL21216002 0.84 ALDH1A1 (0.35) ALDH1A1
SCHEMBL20287957 0.84 ALDH1A1 (0.35) ALDH1A1
SCHEMBL18435768 0.83 ALDH1A1 (0.34) ALDH1A1
SCHEMBL19472471 0.83 ALDH1A1 (0.34) ALDH1A1DPP4
SCHEMBL22019516 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL20274375 0.79 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2

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-20200405585-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2020-12-31 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-20200405585-A1 DENTAL COMPOSITION CBR3, CBR1, PRDX3 ALDH1A1 2034/4885DPP4 3784/4885SMN1; SMN2 4840/4885

“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.