SCHEMBL552011

SCHEMBL552011

O=C(OCc1ccccc1)c1cc(N2CCOCC2)ccc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.62
CYP3A4 P08684 1/20 0.62
SLCO1B1 Q9Y6L6 1/20 0.62
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PRKDC P78527 1/20 0.48
KDM4E B2RXH2 1/20 0.48
APP P05067 1/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 1/20 0.47

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 0.90 LRRK2 (0.64) LRRK2CYP3A4SLCO1B1ALDH1A1GAA
SCHEMBL1317670 0.90 LRRK2 (0.66) LRRK2CYP3A4SLCO1B1ALDH1A1MRGPRX4
SCHEMBL1315758 0.88 LRRK2 (0.61) LRRK2CYP3A4SLCO1B1ALDH1A1GAA
SCHEMBL552232 0.87 LRRK2 (0.63) LRRK2CYP3A4SLCO1B1MRGPRX4MEN1
SCHEMBL550991 0.87 LRRK2 (0.58) LRRK2CYP3A4SLCO1B1MRGPRX4MEN1
SCHEMBL23259451 0.86 LRRK2 (0.62) LRRK2CYP3A4SLCO1B1MEN1KMT2A
SCHEMBL1647233 0.86 LRRK2 (0.62) LRRK2CYP3A4SLCO1B1USP2KMT2A
SCHEMBL23259450 0.84 ME2 (0.57) LRRK2USP2ALDH1A1GAAMEN1
SCHEMBL11629413 0.81 HTT (0.54) ALDH1A1GAAMEN1KMT2ANPSR1
SCHEMBL6778287 0.80 PRKDC (0.64) USP2ALDH1A1GAAMRGPRX4MEN1

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
EP-2310015-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF Cropsolution, Inc. (US) 2011-04-20 EP disclosed
WO-2010008521-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF CROPSOLUTION, INC. (US) 2010-01-21 WO 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.