SCHEMBL5651473

SCHEMBL5651473

COC(=O)C#CCCNC=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.37
ADH1A P07327 3/20 0.37
ADH7 P40394 3/20 0.37
ADH1C P00326 2/20 0.34
EPHX1 P07099 1/20 0.33
ADH4 P08319 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
SCHEMBL5652176 0.82 ADH1B (0.31) ADH1BADH1AADH7ADH1C
SCHEMBL5650034 0.78 ADH1B (0.36) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL5650212 0.76 ADH1B (0.34) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL5651469 0.74
SCHEMBL1088941 0.73
SCHEMBL16287880 0.71
SCHEMBL2528894 0.71 ALDH1A1 (0.40)
SCHEMBL1088279 0.69 HMGCR (0.41) EPHX1
Iodide SCHEMBL8906816 0.69
Iodide SCHEMBL8906820 0.69

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-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 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-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 ADH1B 2746/4885ADH1A 2285/4885ADH7 2201/4885

“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.