SCHEMBL10169960

SCHEMBL10169960

COc1cc(C(=O)N2CCC3(CC2)NC(=O)c2cc(NC(C)=O)ccc2O3)cc2c(C3CC3)nccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.36
CDK9 P50750 3/20 0.36
CASP7 P55210 3/20 0.36
ACACB O00763 2/20 0.36
ACACA Q13085 1/20 0.36
RAF1 P04049 7/20 0.36
BRAF P15056 1/20 0.36
KCNH2 Q12809 1/20 0.36
CRBN Q96SW2 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 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
SCHEMBL10169956 0.88 ACACB (0.37) CASP3CDK9CASP7ACACBACACA
SCHEMBL10170081 0.86 CDK9 (0.37) CASP3CDK9CASP7ACACBACACA
SCHEMBL551806 0.85 ACACB (0.47) ACACBACACACRBNHDAC3HDAC4
SCHEMBL10169967 0.84 ACACB (0.35) CASP3CDK9CASP7ACACBACACA
SCHEMBL10169966 0.84 ACACB (0.36) CASP3CDK9CASP7ACACBACACA
SCHEMBL10169953 0.79 ACACB (0.41) ACACBACACACRBNHDAC3HDAC4
SCHEMBL10169990 0.77 ALOX15 (0.40) ACACBACACACRBNHDAC3HDAC4
SCHEMBL10169914 0.77 ACACB (0.49) ACACBACACACRBNHDAC3HDAC4
SCHEMBL10169931 0.75 KMT2A (0.47) ACACBACACARAF1BRAFKCNH2
SCHEMBL10169949 0.75 HDAC3 (0.40) CRBNHDAC3HDAC4HDAC1HDAC7

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 CASP3 2490/4885CDK9 2572/4885CASP7 3755/4885

“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.