SCHEMBL4513783

SCHEMBL4513783

Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(OC(F)(F)F)ccc2O3)cc2cn[nH]c12

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.72
ACACA Q13085 1/20 0.62

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
SCHEMBL4504676 0.90 ACACB (0.77) ACACB
Trifluoroacetic Acid SCHEMBL4513543 0.90 ACACB (0.69) ACACB
SCHEMBL4264249 0.89 ACACB (0.74) ACACB
SCHEMBL4255428 0.89 ACACB (0.77) ACACBACACA
SCHEMBL4520764 0.88 ACACB (0.73) ACACB
SCHEMBL4509602 0.87 ACACB (0.69) ACACBACACA
SCHEMBL4260433 0.87 ACACB (0.82) ACACBACACA
Trifluoroacetic Acid SCHEMBL4509599 0.87 ACACB (0.73) ACACBACACA
SCHEMBL4261331 0.85 ACACB (0.79) ACACB
SCHEMBL4255181 0.85 ACACB (0.78) ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 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-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB ACACB 3/4885ACACA 1/4885

“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.