SCHEMBL3725239

SCHEMBL3725239

CCCC(=O)NCC(=O)NC1CCCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
TAOK3 Q9H2K8 13/20 0.66
TAOK1 Q7L7X3 12/20 0.66
HTT P42858 1/20 0.65

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
SCHEMBL2406505 0.91 ALDH1A1 (0.76) ALDH1A1HTT
SCHEMBL1565743 0.91 ALDH1A1 (0.76) ALDH1A1HTT
SCHEMBL659023 0.86 ALDH1A1 (0.74) ALDH1A1TAOK3TAOK1HTT
SCHEMBL20990440 0.86 ALDH1A1 (0.74) ALDH1A1TAOK3TAOK1HTT
Hydrochloric Acid SCHEMBL7797522 0.84 ALDH1A1 (0.72) ALDH1A1TAOK3TAOK1HTT
SCHEMBL3330158 0.84 MEN1 (0.71) ALDH1A1TAOK3TAOK1HTT
SCHEMBL19115277 0.83 ALDH1A1 (0.64) ALDH1A1HTT
SCHEMBL2464640 0.83 ALDH1A1 (0.64) ALDH1A1HTT
SCHEMBL5652051 0.83 TAOK3 (0.64) ALDH1A1TAOK3TAOK1
SCHEMBL31730298 0.83 TAOK3 (0.64) ALDH1A1TAOK3TAOK1

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-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 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-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS ALDH1A1 4425/4885TAOK3 2254/4885TAOK1 1785/4885

“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.