SCHEMBL550991

SCHEMBL550991

CC(C)(C)OC(=O)c1cc(N2CCOCC2)ccc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.58
CYP3A4 P08684 2/20 0.58
SLCO1B1 Q9Y6L6 2/20 0.58
MRGPRX4 Q96LA9 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
APP P05067 1/20 0.47
HPGD P15428 1/20 0.47
P2RY12 Q9H244 1/20 0.46
KCNH2 Q12809 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL1318286 0.88 LRRK2 (0.64) LRRK2CYP3A4SLCO1B1MRGPRX4HSD17B10
SCHEMBL552011 0.87 LRRK2 (0.62) LRRK2CYP3A4SLCO1B1MRGPRX4HSD17B10
SCHEMBL1317670 0.86 LRRK2 (0.66) LRRK2CYP3A4SLCO1B1MRGPRX4HSD17B10
SCHEMBL1316024 0.85 LRRK2 (0.57) LRRK2CYP3A4SLCO1B1KCNH2
SCHEMBL1316798 0.85 LRRK2 (0.57) LRRK2CYP3A4SLCO1B1MEN1KMT2A
SCHEMBL552232 0.84 LRRK2 (0.63) LRRK2CYP3A4SLCO1B1MRGPRX4HSD17B10
SCHEMBL1318379 0.82 LRRK2 (0.53) LRRK2CYP3A4SLCO1B1MEN1KMT2A
SCHEMBL1315941 0.82 LRRK2 (0.53) LRRK2CYP3A4SLCO1B1SMN1; SMN2KDM4E
SCHEMBL19381144 0.78 CCR5 (0.62) LRRK2CYP3A4SLCO1B1HSD17B10MEN1
SCHEMBL1316513 0.77 LRRK2 (0.63) LRRK2CYP3A4SLCO1B1MEN1KMT2A

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 2 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-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 LRRK2 2106/4885CYP3A4 1282/4885SLCO1B1 4009/4885

“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.