SCHEMBL732777

SCHEMBL732777

CC(=O)OC1=C(c2ccc(Cl)cc2Cl)C(=O)OC12CCC(CCO)CC2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
CNR1 P21554 14/20 0.33
CNR2 P34972 14/20 0.33
KCNH2 Q12809 6/20 0.33
SLC6A3 Q01959 1/20 0.33
MDM2 Q00987 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL10287792 0.89 ACACB (0.39) PTGS2CNR1CNR2KCNH2SLC6A3
SCHEMBL13039843 0.85 PTGS2 (0.37) PTGS2CNR1CNR2KCNH2SLC6A3
SCHEMBL13076982 0.83 PTGS2 (0.35) PTGS2CNR1CNR2KCNH2SLC6A3
SCHEMBL734171 0.83 PTGS2 (0.39) PTGS2CNR1CNR2KCNH2MDM2
SCHEMBL13167961 0.81 OPRM1 (0.37) PTGS2CNR1
SCHEMBL13052290 0.81 PTGS2 (0.39) PTGS2SLC6A3MAPTHPGD
SCHEMBL12214969 0.81 PTGS2 (0.36) PTGS2CNR1CNR2KCNH2SLC6A3
SCHEMBL12362048 0.79 PTGS2 (0.37) PTGS2CNR1CNR2KCNH2MAPT
SCHEMBL12231716 0.78 PTGS2 (0.36) PTGS2CNR1CNR2KCNH2MAPT
SCHEMBL13070291 0.78 PTGS2 (0.35) PTGS2CNR1CNR2KCNH2SLC6A3

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-8138119-B2 Alkoxyalkyl spirocyclic tetramic acids and tetronic acids BAYER CROPSCIENCE AG (DE) 2012-03-20 US disclosed
US-20090215624-A1 Alkoxyalkyl Spirocyclic Tetramic Acids and Tetronic Acids BAYER CROPSCIENCE AG (DE) 2009-08-27 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-20090215624-A1 Alkoxyalkyl Spirocyclic Tetramic Acids and Tetronic Acids DDT, TBCD, TBCA PTGS2 4449/4885CNR1 1389/4885CNR2 1756/4885

“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.