SCHEMBL8513488

SCHEMBL8513488

COC1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(Cl)cc3)ccc1Cl)C2O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.48
ACACA Q13085 7/20 0.48
BACE1 P56817 10/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35

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
SCHEMBL14701983 0.85 ACACB (0.35) ACACBACACASLC6A3
SCHEMBL3434210 0.77 ACACB (0.43) ACACBACACA
SCHEMBL14700724 0.70 ACACB (0.71) ACACBACACABACE1SLC6A4SLC6A3
SCHEMBL1941588 0.70 ACACB (0.46) ACACBACACABACE1SLC6A4SLC6A3
SCHEMBL1941586 0.70 ACACB (0.46) ACACBACACABACE1SLC6A4SLC6A3
SCHEMBL2354375 0.70 ACACB (0.71) ACACBACACABACE1SLC6A4SLC6A3
SCHEMBL2353412 0.70 ACACB (0.71) ACACBACACABACE1SLC6A4SLC6A3
SCHEMBL1942867 0.69 ACACB (0.50) ACACBACACABACE1SLC6A4SLC6A3
SCHEMBL3432953 0.69 ACACB (0.38) ACACBACACA
SCHEMBL8280541 0.66 ACACB (0.63) ACACBACACABACE1

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-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 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 (2 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 541/4885BACE1 3453/4885
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY CYP46A1, LIPC, CYP27A1 ACACB 85/4885ACACA 90/4885BACE1 3418/4885

“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.