SCHEMBL683340

SCHEMBL683340

CC(=O)[C@H](CNC1CCCC(C)(C)C1)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8223709 0.90 ALDH1A1 (0.39) ALDH1A1HTTPOLB
SCHEMBL679738 0.89 POLB (0.38) ALDH1A1HTTPOLB
SCHEMBL14295744 0.88 AKT3 (0.38) ALDH1A1POLBSMN1; SMN2
SCHEMBL681788 0.86 POLB (0.35) ALDH1A1HTTPOLB
SCHEMBL683339 0.85 CYP1A2 (0.38) ALDH1A1HTTPOLBCYP1A2SMN1; SMN2
SCHEMBL2738723 0.78 AKT3 (0.38) ALDH1A1POLBSMN1; SMN2
SCHEMBL12168931 0.77 GAA (0.38) ALDH1A1POLBSMN1; SMN2
SCHEMBL12188390 0.77 FPR2 (0.40) ALDH1A1POLBCYP1A2SMN1; SMN2
SCHEMBL681038 0.75 AKT3 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL2739041 0.75 ALDH1A1 (0.37) ALDH1A1HTTPOLB

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-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 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-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ALDH1A1 1715/4885HTT 2076/4885POLB 613/4885

“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.