SCHEMBL734171

SCHEMBL734171

O=C1OC2(CCC(CCO)CC2)C(O)=C1c1ccc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
NPY5R Q15761 2/20 0.33
MDM2 Q00987 2/20 0.32
CRBN Q96SW2 1/20 0.32
SLC6A4 P31645 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MEN1 O00255 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
CNR1 P21554 3/20 0.31
CNR2 P34972 3/20 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
SCHEMBL10287793 0.85 ACACB (0.46) PTGS2NPY5RCRBNSLC6A4FFAR4
SCHEMBL732777 0.83 PTGS2 (0.37) PTGS2MDM2SLC6A4HPGDCNR1
SCHEMBL29673016 0.81 PTGS2 (0.42) PTGS2CRBNSLC6A4MEN1CYP1A2
SCHEMBL18958948 0.81 PTGS2 (0.42) PTGS2CRBNSLC6A4MEN1CYP1A2
SCHEMBL13039844 0.81 PTGS2 (0.40) PTGS2NPY5RMEN1CYP1A2CYP2C19
SCHEMBL13076974 0.80 PTGS2 (0.36) PTGS2NPY5RCRBN
SCHEMBL13167963 0.78 SIGMAR1 (0.40) PTGS2NPY5RCYP2C19NPC1RAB9A
SCHEMBL12214970 0.77 PTGS2 (0.39) PTGS2NPY5RMEN1CYP1A2CYP2C19
SCHEMBL782595 0.76 PTGS2 (0.42) PTGS2NPY5RCRBNMEN1CYP1A2
SCHEMBL12362049 0.75 PTGS2 (0.38) PTGS2CRBNMEN1CYP1A2CYP2C19

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 4449/4885NPY5R 911/4885MDM2 912/4885

“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.