SCHEMBL5344632

SCHEMBL5344632

CC(C)(C)[Si](O[C@H]1CCC(=O)[C@H](ONc2ccccc2)C1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
ALDH1A1 P00352 1/20 0.30
GFER P55789 1/20 0.30
SMYD2 Q9NRG4 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
SCHEMBL5337630 1.00 BACE1 (0.35) BACE1ALDH1A1GFERSMYD2
SCHEMBL14369931 0.84 BACE1 (0.37) BACE1SMYD2
SCHEMBL9897980 0.78 BACE1 (0.38) BACE1SMYD2
SCHEMBL9898136 0.78 BACE1 (0.38) BACE1SMYD2
SCHEMBL9897979 0.78 BACE1 (0.38) BACE1SMYD2
SCHEMBL6121758 0.77 BACE1 (0.37) BACE1SMYD2
SCHEMBL5342530 0.75 GLA (0.40) ALDH1A1GFER
SCHEMBL5345011 0.75 GLA (0.40) ALDH1A1GFER
SCHEMBL1444038 0.75 BACE1 (0.43) BACE1SMYD2
SCHEMBL14369908 0.75 ALDH1A1 (0.41) ALDH1A1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279601-B2 Optically active α-aminooxyketone derivatives and process for production thereof TOKYO UNIVERSITY OF SCIENCE, CENTER FOR SCIENCE AND TECHNOLOGY EXCHANGE (JP) 2007-10-09 US disclosed
US-7279601-B2 Optically active α-aminooxyketone derivatives and process for production thereof TOKYO UNIVERSITY OF SCIENCE, CENTER FOR SCIENCE AND TECHNOLOGY EXCHANGE (JP) 2007-10-09 US disclosed
US-20060293525-A1 Optically active alpha-aminooxyketone derivatives and process for production thereof TOKYO UNIVERSITY OF SCIENCE, CENTER FOR SCIENCE AND TECHNOLOGY EXCHANGE (JP) 2006-12-28 US disclosed
EP-1661885-A1 OPTICALLY ACTIVE ALPHA-AMINOOXYKETONE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF Tokyo University of Science (JP) 2006-05-31 EP 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-20060293525-A1 Optically active alpha-aminooxyketone derivatives and process for production thereof ALDH7A1, ASPH, KMO BACE1 1788/4885ALDH1A1 71/4885GFER 276/4885

“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.