SCHEMBL13070293

SCHEMBL13070293

CCOC1CCCC2(C1)OC(=O)C(c1ccc(Cl)cc1Cl)=C2O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
SLC6A3 Q01959 1/20 0.33
CHRM3 P20309 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPY5R Q15761 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 2/20 0.31
MAPK1 P28482 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
THRB P10828 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
SCHEMBL12214970 0.94 PTGS2 (0.39) PTGS2SLC6A3CHRM3KDM4ENPY5R
SCHEMBL13039844 0.88 PTGS2 (0.40) PTGS2SLC6A3CHRM3KDM4EALDH1A1
SCHEMBL13070291 0.86 PTGS2 (0.35) PTGS2SLC6A3CHRM3NPY5RMAPT
SCHEMBL13523573 0.82 SLC6A3 (0.32) PTGS2SLC6A3KDM4EMAPTCNR1
SCHEMBL13069972 0.82
SCHEMBL13069975 0.80 POLB (0.31) TP53POLB
SCHEMBL12214969 0.80 PTGS2 (0.36) PTGS2SLC6A3NPY5RMAPTMAPK1
SCHEMBL18958948 0.78 PTGS2 (0.42) PTGS2SLC6A3ALDH1A1MEN1KMT2A
SCHEMBL29673016 0.78 PTGS2 (0.42) PTGS2SLC6A3ALDH1A1MEN1KMT2A
SCHEMBL13974038 0.78 SLC6A3 (0.32) SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410289-B2 Spirocyclic 3'-alkoxytetramic acids and-tetronic acids BAYER CROPSCIENCE AG (DE) 2013-04-02 US disclosed
US-8410289-B2 Spirocyclic 3'-alkoxytetramic acids and-tetronic acids BAYER CROPSCIENCE AG (DE) 2013-04-02 US disclosed
EP-2246328-A1 3'-Alkoxy spirocyclic tetronic acid derivatives Bayer CropScience AG (DE) 2010-11-03 EP disclosed
US-20090029858-A1 Spirocyclic 3'-Alkoxytetramic Acids and -Tetronic Acids BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-29 US disclosed
US-20090029858-A1 Spirocyclic 3'-Alkoxytetramic Acids and -Tetronic Acids BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-29 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-20090029858-A1 Spirocyclic 3'-Alkoxytetramic Acids and -Tetronic Acids DDT, MTX1, MTX2 PTGS2 3417/4885SLC6A3 2585/4885CHRM3 514/4885

“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.