SCHEMBL1709287

SCHEMBL1709287

CCC(=O)[C@@H](CC)Cc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.51
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
MMP9 P14780 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
ACP3 P15309 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
NR3C2 P08235 1/20 0.42
MTNR1A P48039 1/20 0.42
CYP1A2 P05177 2/20 0.42
ATM Q13315 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL1709345 1.00 CTNNB1 (0.51) CTNNB1MMEACECPA1ACE2
SCHEMBL3814684 0.86 CTNNB1 (0.56) CTNNB1MMEACECPA1ACE2
SCHEMBL5697803 0.84 CTNNB1 (0.51) CTNNB1MMEACECPA1ACE2
SCHEMBL13821722 0.82 MME (0.52) CTNNB1MMEACECPA1ACE2
SCHEMBL13575649 0.82 MME (0.52) CTNNB1MMEACECPA1ACE2
SCHEMBL13821887 0.82 EPHX2 (0.51) CTNNB1CYP1A2CYP2D6
SCHEMBL6677809 0.82 CTNNB1 (0.63) CTNNB1MMEACECPA1ACE2
SCHEMBL16509275 0.79 MME (0.52) CTNNB1MMEACECPA1ACE2
SCHEMBL1709303 0.79 CTNNB1 (0.49) CTNNB1MMEACECPA1ACE2
SCHEMBL14374195 0.78 MME (0.51) CTNNB1MMEACECPA1ACE2

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-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 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-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO CTNNB1 450/4885MME 2640/4885ACE 2268/4885

“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.