SCHEMBL14700752

SCHEMBL14700752

CO[C@H]1CC[C@]2(CC1)NC(=O)C(c1cc(-c3ccc(Cl)cc3Cl)ccc1C)=C2O

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.74
ACACA Q13085 13/20 0.74
SLC6A3 Q01959 1/20 0.32
ABL1 P00519 1/20 0.32

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
SCHEMBL14689885 1.00 ACACB (0.74) ACACBACACASLC6A3ABL1
SCHEMBL2348234 1.00 ACACB (0.74) ACACBACACASLC6A3ABL1
SCHEMBL12458451 0.91 ACACB (0.77) ACACBACACAABL1
SCHEMBL2350512 0.91 ACACB (0.77) ACACBACACAABL1
SCHEMBL14689540 0.91 ACACB (0.77) ACACBACACAABL1
SCHEMBL14700747 0.91 ACACB (0.77) ACACBACACA
SCHEMBL14689905 0.91 ACACB (0.77) ACACBACACA
SCHEMBL2349899 0.91 ACACB (0.77) ACACBACACA
SCHEMBL13884584 0.90 ACACB (0.79) ACACBACACA
SCHEMBL6113874 0.90 ACACB (0.79) 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-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 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-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY AKR1B1, AKR1C3, AKR1A1 ACACB 310/4885ACACA 541/4885SLC6A3 4718/4885

“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.