SCHEMBL10169936

SCHEMBL10169936

COc1cccc2cc(C(=O)N3CCC4(CC3)NC(=O)c3cc(Br)ccc3O4)[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.54
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
ACACB O00763 3/20 0.43
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
FLT3 P36888 1/20 0.39

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
SCHEMBL10169921 0.88 KMT2A (0.49) HRH4ACACBHDAC3HDAC4HDAC1
SCHEMBL10169950 0.88 KDM4E (0.41) HRH4ACACBHDAC3HDAC4HDAC1
SCHEMBL10169937 0.87 HRH4 (0.51) HRH4DRD2DRD3ACACBHDAC3
SCHEMBL10169946 0.84 KMT2A (0.44) HRH4ACACBHDAC3HDAC4HDAC1
SCHEMBL10169935 0.84 HRH4 (0.47) HRH4DRD2DRD3ACACB
SCHEMBL550917 0.83 ALDH1A1 (0.43) ACACBHDAC3HDAC4HDAC1HDAC7
SCHEMBL10169992 0.83 ACACB (0.41) ACACBHDAC3HDAC4HDAC1HDAC7
SCHEMBL552034 0.81 ACACB (0.51) ACACBHDAC3HDAC4HDAC1HDAC7
SCHEMBL551996 0.81 ACACB (0.49) ACACBHDAC3HDAC4HDAC1HDAC7
SCHEMBL10170364 0.79 KMT2A (0.50) HRH4DRD2DRD3ACACBHDAC3

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 HRH4 2260/4885DRD2 4878/4885DRD3 4833/4885

“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.