SCHEMBL4570452

SCHEMBL4570452

CCOC(=O)C(CC)CC(OCC)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
CPB2 Q96IY4 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
EPHX2 P34913 6/20 0.33
PPARG P37231 3/20 0.33
RAB9A P51151 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32

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
SCHEMBL7837841 0.82 MGAM (0.40) ALDH1A1MEN1NPC1KMT2ACPB2
SCHEMBL284647 0.79 ALDH1A1 (0.50) ALDH1A1MEN1NPC1KMT2ACPB2
SCHEMBL13555039 0.78 CPA1 (0.44) ALDH1A1MEN1NPC1KMT2ACPB2
SCHEMBL13541257 0.78 CPA1 (0.44) ALDH1A1MEN1NPC1KMT2ACPB2
SCHEMBL17617124 0.78 CPA1 (0.44) ALDH1A1MEN1NPC1KMT2ACPB2
SCHEMBL131332 0.78 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ALMNAHSD17B10
SCHEMBL21981164 0.77 ALDH1A1 (0.48) ALDH1A1MEN1NPC1KMT2ACPB2
SCHEMBL28904001 0.77 ALDH1A1 (0.48) ALDH1A1MEN1NPC1KMT2ACPB2
SCHEMBL29207090 0.77 ALDH1A1 (0.48) ALDH1A1MEN1NPC1KMT2ACPB2
SCHEMBL4957929 0.77 ALDH1A1 (0.48) ALDH1A1MEN1NPC1KMT2ACPB2

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-20120123119-A1 ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 2012-05-17 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-20120123119-A1 ACYCLIC NUCLEOSIDE DERIVATIVES NUDT1, PNP, NSUN2 ALDH1A1 2200/4885MEN1 1895/4885NPC1 409/4885

“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.