SCHEMBL12465355

SCHEMBL12465355

Cc1cc(C=O)cc(CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
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
SCHEMBL5881932 0.91 BACE1 (0.35) BACE1
SCHEMBL19047522 0.84 BACE1 (0.32) BACE1
SCHEMBL22436459 0.81 BACE1 (0.33) BACE1
SCHEMBL29834155 0.81 BACE1 (0.33) BACE1
SCHEMBL1764768 0.81 CYP2A6 (0.34) BACE1
SCHEMBL5882887 0.79 CA12 (0.42) ALDH1A1
SCHEMBL4712257 0.79 BACE1 (0.33) BACE1
SCHEMBL4332449 0.79 MAOA (0.47) BACE1MAOAMAOBALDH1A1
SCHEMBL13486790 0.78 SRC (0.36) BACE1ALDH1A1
SCHEMBL31139297 0.78 ALDH1A1 (0.40) BACE1ALDH1A1

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-20110184029-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-07-28 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-20110184029-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DPYD, TYMP, PNPO BACE1 1879/4885MAOA 708/4885MAOB 302/4885

“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.