SCHEMBL8275409

SCHEMBL8275409

[C-]#[N+]C(C(=O)OC)=C1CCCC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL12691906 0.74
SCHEMBL20573106 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL29138431 0.71 ALDH1A1 (0.39) ALDH1A1
SCHEMBL6356441 0.71 SLC6A2 (0.35) ALDH1A1
SCHEMBL29138432 0.70 SLC6A2 (0.38) ALDH1A1
SCHEMBL13881363 0.68 GRIK1 (0.35) ALDH1A1
SCHEMBL13783789 0.65 MGAM (0.38) ALDH1A1
SCHEMBL5642488 0.65 SMN1; SMN2 (0.49) ALDH1A1
SCHEMBL13060426 0.65 GRIK1 (0.42)
SCHEMBL5641654 0.64 SMN1; SMN2 (0.51) ALDH1A1

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-20040147608-A1 Cyclopropyl beta-amino acid derivatives SCHWARZ JACOB BRADLEY (US) 2004-07-29 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-20040147608-A1 Cyclopropyl beta-amino acid derivatives CACNA1S, CACNA1D, CACNA1B ALDH1A1 1295/4885

“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.