SCHEMBL5530754

SCHEMBL5530754

CCCCC(C=O)ONC(C)(C)CCC

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL5528359 0.95 ADH1B (0.35) CTSKTSHRSMN1; SMN2ALDH1A1
SCHEMBL5533997 0.94 ADH1B (0.38) CTSKTSHRSMN1; SMN2ALDH1A1CA2
SCHEMBL5532556 0.94 ADH1B (0.38) CTSKTSHRSMN1; SMN2ALDH1A1CA2
SCHEMBL5530589 0.94 ADH1B (0.38) CTSKTSHRSMN1; SMN2ALDH1A1CA2
SCHEMBL5538344 0.94 ADH1B (0.38) CTSKTSHRSMN1; SMN2ALDH1A1CA2
SCHEMBL5532422 0.94 ADH1B (0.38) CTSKTSHRSMN1; SMN2ALDH1A1CA2
SCHEMBL5532450 0.94 ADH1B (0.38) CTSKTSHRSMN1; SMN2ALDH1A1CA2
SCHEMBL5532475 0.90 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5533425 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL976810 0.77 ALDH1A1 (0.33) ALDH1A1

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-20070055081-A1 Processes for production of alpha-aminooxyketones and alpha-hydroxyketones JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-03-08 US disclosed
EP-1717221-A1 PROCESSES FOR PRODUCTION OF ALPHA-AMINOOXYKETONES AND ALPHA-HYDROXYKETONES Japan Science and Technology Agency (JP) 2006-11-02 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-20070055081-A1 Processes for production of alpha-aminooxyketones and alpha-hydroxyketones KHK, HCCS, XDH CTSK 960/4885TSHR 4535/4885SMN1; SMN2 3163/4885

“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.