SCHEMBL12329322

SCHEMBL12329322

COC1CCCC2(C1)NC(=O)C(c1c(C)cc(Cl)cc1C)=C2O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.47
ACACA Q13085 13/20 0.47
SLC6A4 P31645 4/20 0.32
SLC6A3 Q01959 4/20 0.32
CES1 P23141 1/20 0.32
PDE7B Q9NP56 1/20 0.32
KMT2A Q03164 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
SCHEMBL12329323 0.95 ACACB (0.47) ACACBACACASLC6A4SLC6A3PDE7B
SCHEMBL12214961 0.93 ACACB (0.53) ACACBACACACES1
SCHEMBL11990112 0.92 ACACB (0.43) ACACBACACA
SCHEMBL12214972 0.88 ACACB (0.53) ACACBACACACES1
SCHEMBL12328962 0.88 ACACB (0.42) ACACBACACA
SCHEMBL13963569 0.86 ACACB (0.38) ACACBACACA
SCHEMBL732773 0.85 ACACB (0.54) ACACBACACAPDE7BKMT2A
SCHEMBL12214989 0.85 ACACB (0.49) ACACBACACA
SCHEMBL2354463 0.82 ACACB (0.49) ACACBACACA
SCHEMBL15489227 0.81 ACACB (0.46) ACACBACACACES1KMT2A

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 6 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-1761490-B1 3'-ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2011-09-07 EP 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 ACACB 505/4885ACACA 230/4885SLC6A4 3627/4885

“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.