SCHEMBL10169990

SCHEMBL10169990

COc1cc(C(=O)N2CCC3(CC2)NC(=O)c2cc(NC(C)=O)ccc2O3)nc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
MOK Q9UQ07 3/20 0.40
P2RY12 Q9H244 6/20 0.38
NPY5R Q15761 1/20 0.38
RAB9A P51151 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL10169914 0.90 ACACB (0.49) MOKACACBACACAHDAC3HDAC4
SCHEMBL10169971 0.87 ALOX15 (0.43) ALOX15P2RY12RAB9AACACBACACA
SCHEMBL10170256 0.87 ACACB (0.41) MOKACACBACACAHDAC3HDAC4
SCHEMBL10169953 0.86 ACACB (0.41) MOKRAB9AACACBACACAHDAC3
SCHEMBL1812254 0.86 HDAC3 (0.47) ALOX15ACACBACACAHDAC3HDAC4
SCHEMBL552178 0.85 PTK2 (0.44) MOKNPY5RRAB9AHDAC3HDAC4
Hydrochloric Acid SCHEMBL1812654 0.85 HDAC3 (0.47) ALOX15ACACBACACAHDAC3HDAC4
SCHEMBL10170012 0.84 ACACB (0.39) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL551806 0.83 ACACB (0.47) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL10170035 0.83 ACACB (0.48) ACACBACACAHDAC3HDAC4HDAC1

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 ALOX15 425/4885MOK 3636/4885P2RY12 4145/4885

“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.