SCHEMBL6490067

SCHEMBL6490067

c1ccc(COC[C@@H](OCc2ccccc2)[C@@H]2CCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.46
BACE1 P56817 5/20 0.46
BCHE P06276 4/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CCR3 P51677 1/20 0.41

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
SCHEMBL23274847 0.84 RECQL (0.43) ACHEBACE1BCHE
SCHEMBL23274795 0.83 BCHE (0.47) ACHEBACE1BCHENPC1RAB9A
SCHEMBL23274792 0.83 ACHE (0.47) ACHEBACE1BCHENPC1RAB9A
SCHEMBL23274957 0.78 BACE1 (0.42) ACHEBACE1BCHENPC1RAB9A
SCHEMBL6471573 0.77 BACE1 (0.46) ACHEBACE1BCHENPC1RAB9A
SCHEMBL6490796 0.75 HPGD (0.48) NPC1RAB9AALDH1A1
SCHEMBL19680503 0.73 ALDH1A1 (0.55) ACHEBACE1BCHECYP1A2CYP3A4
SCHEMBL19689038 0.73 ALDH1A1 (0.55) ACHEBACE1BCHECYP1A2CYP3A4
SCHEMBL13005299 0.73 ACHE (0.57) ACHEBACE1BCHECYP1A2CYP3A4
SCHEMBL13676574 0.73 ACHE (0.57) ACHEBACE1BCHECYP1A2CYP3A4

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-20050119231-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-06-02 US disclosed
US-20050107423-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-19 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 (2 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-20050119231-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 ACHE 734/4885BACE1 3311/4885BCHE 1349/4885
US-20050107423-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 ACHE 734/4885BACE1 3311/4885BCHE 1349/4885

“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.