SCHEMBL13295035

SCHEMBL13295035

COC1CCC2(CC1)NC(=O)C(c1ccc(C)cc1C)=C2OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 11/20 0.45
▸ ACACA Q13085 11/20 0.45
▸ CHRM2 P08172 2/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ CHRM5 P08912 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ THRB P10828 1/20 0.32
▸ ALPL P05186 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL11932139 0.92 ACACB (0.52) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL12778736 0.92 ACACB (0.52) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL14501904 0.90 ACACB (0.42) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL13266752 0.90 ACACB (0.42) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL13105390 0.89 ACACB (0.41) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL2850592 0.84 ACACB (0.52) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL2850600 0.83 ACACB (0.54) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL2850595 0.83 ACACB (0.54) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL15894937 0.82 ACACB (0.51) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL13527319 0.82 ACACB (0.51) ACACBACACACHRM2CHRM4CHRM5

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-7727933-B2 2-ethyl-4,6-dimethyl-phenyl-substituted spirocyclic tetramic acid derivatives BAYER CROPSCIENCE AG (DE) 2010-06-01 — — US disclosed
US-20070298969-A1 2-Ethyl-4,6-Dimethyl-Phenyl-Substituted Spirocyclic Tetramic Acid Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFF (DE) 2007-12-27 — — 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-20070298969-A1 2-Ethyl-4,6-Dimethyl-Phenyl-Substituted Spirocyclic Tetramic Acid Derivatives DDT, PKD2, CYP2D6 ACACB 1784/4885ACACA 1730/4885CHRM2 894/4885

“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.

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