SCHEMBL10170397

SCHEMBL10170397

COc1cc(C(=O)N2CCC3(CC2)NC(=O)c2cc(C)ccc2N3)nc2c(OC)cccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.54
ACACA Q13085 5/20 0.54
MGLL Q99685 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
TACR3 P29371 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
ADORA2A P29274 1/20 0.35
P2RY12 Q9H244 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
SCHEMBL10170379 0.92 ACACB (0.53) ACACBACACAMAPTLMNAKDM4E
SCHEMBL550912 0.91 ACACB (0.53) ACACBACACAMAPTLMNASMN1; SMN2
SCHEMBL10170392 0.91 ACACB (0.55) ACACBACACAMAPTLMNASMN1; SMN2
SCHEMBL551729 0.90 ACACB (0.53) ACACBACACAMAPTLMNAKDM4E
SCHEMBL552021 0.88 ACACB (0.50) ACACBACACAMAPTLMNASMN1; SMN2
SCHEMBL10170404 0.88 ACACB (0.51) ACACBACACAMGLLTACR3
SCHEMBL551053 0.86 ACACB (0.50) ACACBACACAMGLLMAPTLMNA
SCHEMBL10170395 0.84 ACACB (0.52) ACACBACACAMGLLMAPTLMNA
SCHEMBL10170259 0.84 ACACB (0.52) ACACBACACAMGLLMAPTLMNA
SCHEMBL10170114 0.83 ACACB (0.46) ACACBACACAMAPTLMNASMN1; SMN2

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 1/4885MGLL 651/4885

“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.