SCHEMBL5537534

SCHEMBL5537534

CCCCC(C=O)ONCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSK P43235 9/20 0.38
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADH1B P00325 2/20 0.34
ADH1C P00326 2/20 0.34
ADH1A P07327 2/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
SLC15A1 P46059 1/20 0.32
EPHX1 P07099 1/20 0.32
CTSL P07711 2/20 0.31
CTSB P07858 2/20 0.31
CTSH P09668 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL943512 0.95 ADH1B (0.41) TSHRSMN1; SMN2CTSKADH1BADH1C
SCHEMBL942173 0.93 ADH1B (0.43) TSHRSMN1; SMN2CTSKADH1BADH1C
SCHEMBL941465 0.93 ADH1B (0.43) TSHRSMN1; SMN2CTSKADH1BADH1C
SCHEMBL943553 0.93 ADH1B (0.43) TSHRSMN1; SMN2CTSKADH1BADH1C
SCHEMBL943455 0.93 ADH1B (0.43) TSHRSMN1; SMN2CTSKADH1BADH1C
SCHEMBL943711 0.93 ADH1B (0.43) TSHRSMN1; SMN2CTSKADH1BADH1C
SCHEMBL942030 0.93 ADH1B (0.43) TSHRSMN1; SMN2CTSKADH1BADH1C
SCHEMBL941196 0.89 ADH1B (0.35) CTSKADH1BADH1CADH1A
SCHEMBL944034 0.82 CTSK (0.37) TSHRSMN1; SMN2CTSKALDH1A1CTSL
SCHEMBL943612 0.81 ADH1B (0.38) ADH1BADH1CADH1A

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 TSHR 4535/4885SMN1; SMN2 3163/4885CTSK 960/4885

“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.