SCHEMBL13053335

SCHEMBL13053335

CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCC1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KLK7 P49862 4/20 0.41
KLK5 Q9Y337 4/20 0.41
SYK P43405 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ATM Q13315 1/20 0.40
AKT1 P31749 2/20 0.39
CTSL P07711 2/20 0.38
CTSS P25774 2/20 0.38
PPARG P37231 1/20 0.38
CTSB P07858 1/20 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
SCHEMBL1976602 1.00 PPARA (0.42) PPARAKMT2AL3MBTL1KLK7KLK5
SCHEMBL1219509 0.93 KMT2A (0.43) PPARAKMT2AL3MBTL1KLK7KLK5
SCHEMBL1978568 0.92 PPARA (0.42) PPARAKMT2AL3MBTL1KLK7KLK5
SCHEMBL9983607 0.86 KLK7 (0.42) PPARAKMT2AL3MBTL1KLK7KLK5
SCHEMBL9983610 0.86 KLK7 (0.42) PPARAKMT2AL3MBTL1KLK7KLK5
SCHEMBL1219154 0.85 KMT2A (0.42) PPARAKMT2AL3MBTL1KLK7KLK5
SCHEMBL13053328 0.85 KMT2A (0.42) PPARAKMT2AL3MBTL1KLK7KLK5
SCHEMBL17183914 0.84 KMT2A (0.41) PPARAKMT2AL3MBTL1KLK7KLK5
SCHEMBL9984909 0.83 KLK7 (0.43) PPARAKMT2AL3MBTL1KLK7KLK5
SCHEMBL16510409 0.83 KLK7 (0.43) PPARAKMT2AL3MBTL1KLK7KLK5

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-7837982-B2 Imaging agents EMORY UNIVERSITY (US) 2010-11-23 US disclosed
US-20070082879-A1 Imaging Agents EMORY UNIVERSITY (US) 2007-04-12 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-20070082879-A1 Imaging Agents SLC7A1, SSTR1, SSTR3 PPARA 4740/4885KMT2A 2212/4885L3MBTL1 848/4885

“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.