SCHEMBL10170028

SCHEMBL10170028

COc1cc(C(=O)N2CCC3(CC2)NC(=O)c2cc(-c4cncc(C(N)=O)c4)ccc2O3)nc2c(OC)cccc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.45
ACACA Q13085 4/20 0.45
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PARP1 P09874 1/20 0.35
DHODH Q02127 1/20 0.35
MAP3K11 Q16584 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL10169915 0.94 ACACB (0.47) ACACBACACACCNCCDK8
SCHEMBL551368 0.92 ACACB (0.41) ACACBACACACYP11B1CYP11B2PARP1
SCHEMBL1809814 0.87 ACACB (0.53) ACACBACACA
SCHEMBL552065 0.84 ACACB (0.47) ACACBACACALMNAMAPT
SCHEMBL10169920 0.84 ACACB (0.47) ACACBACACALMNAMAPT
SCHEMBL10170420 0.84 ACACB (0.51) ACACBACACA
SCHEMBL551283 0.84 ACACB (0.52) ACACBACACALMNAMAPT
SCHEMBL10170259 0.84 ACACB (0.52) ACACBACACALMNAMAPT
SCHEMBL551034 0.83 ACACB (0.50) ACACBACACALMNAMAPT
SCHEMBL552034 0.83 ACACB (0.51) ACACBACACALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US disclosed
US-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US disclosed
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof CROPSOLUTION, INC. 2010-01-14 US disclosed
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof CROPSOLUTION, INC. 2010-01-14 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-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof ACACA, ACAT1, ACACB ACACB 3/4885ACACA 1/4885CYP11B1 268/4885

“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.