SCHEMBL13668652

SCHEMBL13668652

CC(O)C(O)C(C)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.31
SPHK1 Q9NYA1 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
SCHEMBL638313 0.79
SCHEMBL8242275 0.79
SCHEMBL6366240 0.72
SCHEMBL7194400 0.69 ALDH1A1 (0.39) ALDH1A1KDM4ELMNASPHK1
SCHEMBL29825093 0.69
SCHEMBL284632 0.69 ALDH1A1 (0.50) ALDH1A1LMNA
SCHEMBL1014010 0.69 ALDH1A1 (0.50) ALDH1A1LMNA
SCHEMBL17663536 0.69
SCHEMBL11474705 0.69
SCHEMBL6702143 0.69 ALDH1A1 (0.50) ALDH1A1LMNA

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-20090264432-A1 Piperidine and Morpholine Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 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-20090264432-A1 Piperidine and Morpholine Renin Inhibitors REN, ACE, PREP ALDH1A1 2168/4885KDM4E 3255/4885LMNA 965/4885

“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.