SCHEMBL10169935

SCHEMBL10169935

COc1cccc2cc(C(=O)N3CCC4(CC3)NC(=O)c3cc(-c5nnn[nH]5)ccc3O4)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.47
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
ACACB O00763 5/20 0.40
ABCB1 P08183 4/20 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
SCHEMBL10169933 0.90 KMT2A (0.43) HRH4ACACBABCB1
SCHEMBL10169941 0.86 KDM4E (0.38) ACACB
SCHEMBL10169996 0.85 ACACB (0.39) ACACB
SCHEMBL552199 0.84 ACACB (0.48) ACACB
SCHEMBL10169936 0.84 HRH4 (0.54) HRH4DRD2DRD3ACACB
SCHEMBL10169984 0.82 ALOX15 (0.38) ACACB
SCHEMBL10169937 0.81 HRH4 (0.51) HRH4DRD2DRD3ACACB
SCHEMBL10169954 0.79 ACACB (0.41) ACACB
SCHEMBL10169947 0.79 HDAC3 (0.36) ACACB
SCHEMBL551986 0.77 HRH4 (0.42) HRH4DRD2DRD3

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.