SCHEMBL2232837

SCHEMBL2232837

CCC(C)C(O)C(NC)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.42
MME P08473 2/20 0.39
ACE P12821 2/20 0.39
CPA1 P15085 2/20 0.39
ACE2 Q9BYF1 2/20 0.39
CA2 P00918 4/20 0.39
CA1 P00915 3/20 0.39
FPR2 P25090 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
ENPEP Q07075 2/20 0.37

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
SCHEMBL6207891 1.00 ALDH1A1 (0.48) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL8028251 1.00 ALDH1A1 (0.48) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL18560091 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL2034664 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL288609 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL203222 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL43380 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL43381 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL203221 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL2034259 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201642-A1 Bioactive Compounds BLUNT JOHN 2011-08-18 US disclosed
EP-2352746-A1 BIOACTIVE COMPOUNDS Universiti Teknologi Mara (MY) 2011-08-10 EP disclosed
WO-2010062159-A1 BIOACTIVE COMPOUNDS UNIVERSITI TEKNOLOGI MARA (MY) 2010-06-03 WO 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-20110201642-A1 Bioactive Compounds TPI1, XPO1, GDI1 ALDH1A1 1421/4885L3MBTL1 4709/4885MME 41/4885

“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.