SCHEMBL7045560

SCHEMBL7045560

BrCCCCCCCCC[n+]1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 7/20 0.75
▸ ACHE P22303 6/20 0.75

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
SCHEMBL2407838 1.00 BCHE (0.75) BCHEACHE
SCHEMBL30105291 1.00 BCHE (0.75) BCHEACHE
SCHEMBL7046057 1.00 BCHE (0.75) BCHEACHE
Bromide SCHEMBL7927268 0.98 BCHE (0.76) BCHEACHE
Ammonia Solution, Strong SCHEMBL28709118 0.98 BCHE (0.71) BCHEACHE
Bromide SCHEMBL2401340 0.98 BCHE (0.76) BCHEACHE
Bromide SCHEMBL7927418 0.98 BCHE (0.76) BCHEACHE
SCHEMBL5393053 0.97 BCHE (0.70) BCHEACHE
Bromide SCHEMBL7919286 0.95 BCHE (0.71) BCHEACHE
SCHEMBL31232300 0.90 BCHE (0.65) BCHEACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds SPONDULI SERVICES, LTD. (AU) 2003-04-03 — — US claimed
US-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds SPONDULI SERVICES, LTD. (AU) 2003-04-03 — — 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-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds ACIN1, DNA2, KPNA1 BCHE 3931/4885ACHE 3588/4885

“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.

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