SCHEMBL5532422

SCHEMBL5532422

CCCCCCCCC(C=O)ONC(C)(C)CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.38
ADH1C P00326 2/20 0.38
ADH1A P07327 2/20 0.38
ADH4 P08319 2/20 0.38
ADH7 P40394 2/20 0.38
CTSK P43235 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CA2 P00918 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SMPD1 P17405 3/20 0.30
TRPA1 O75762 1/20 0.30
DDAH1 O94760 1/20 0.30
GAPDH P04406 1/20 0.30
MAPT P10636 1/20 0.30
PRSS1 P07477 1/20 0.30
CTSG P08311 1/20 0.30
CTRB1 P17538 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
SCHEMBL5538344 1.00 ADH1B (0.38) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5532556 1.00 ADH1B (0.38) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5530589 1.00 ADH1B (0.38) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5533997 1.00 ADH1B (0.38) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5532450 1.00 ADH1B (0.38) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5528359 0.98 ADH1B (0.35) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5530754 0.94 CTSK (0.37) CTSKALDH1A1CA2TSHRSMN1; SMN2
SCHEMBL5532475 0.87 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5533425 0.82 ALDH1A1 (0.32) ALDH1A1
SCHEMBL976810 0.74 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 ADH1B 1067/4885ADH1C 1469/4885ADH1A 1581/4885

“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.