SCHEMBL13588705

SCHEMBL13588705

CC(C)C(=O)CCNCCO

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 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
SCHEMBL13588703 0.87 PAOX (0.35)
SCHEMBL4824175 0.87 PAOX (0.35) ALDH1A1MEN1USP2MAPTKMT2A
SCHEMBL27636853 0.80
SCHEMBL26501026 0.80 CA1 (0.38) ALDH1A1
SCHEMBL12835748 0.79 CYP2C19 (0.36) ALDH1A1MEN1USP2KMT2ATSHR
SCHEMBL19827396 0.79 ALDH1A1 (0.34) ALDH1A1MEN1USP2MAPTKMT2A
SCHEMBL25132316 0.78 ARG1 (0.32)
Diethanolamine SCHEMBL8859117 0.78 ALDH1A1 (0.37) ALDH1A1MEN1USP2MAPTKMT2A
SCHEMBL12762408 0.77 CYP2C19 (0.39) ALDH1A1
SCHEMBL27657824 0.77 ALDH1A1 (0.30) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 ALDH1A1 2105/4885MEN1 3694/4885USP2 3614/4885

“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.