SCHEMBL10170296

SCHEMBL10170296

COc1cccc2c(C)c(C(=O)N3CCC4(CC3)NC(=O)c3cc5ccccc5cc3O4)[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACACB O00763 9/20 0.41
HRH4 Q9H3N8 2/20 0.39
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 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
SCHEMBL10170310 0.94 KMT2A (0.42) ALDH1A1POLBHTTKDM4EMEN1
SCHEMBL10170312 0.92 KDM4E (0.43) ALDH1A1POLBHTTKDM4EMEN1
SCHEMBL10170281 0.90 KDM4E (0.44) ALDH1A1POLBHTTKDM4EMEN1
SCHEMBL10170271 0.89 MEN1 (0.45) ALDH1A1POLBHTTKDM4EMEN1
SCHEMBL10169946 0.88 KMT2A (0.44) ALDH1A1POLBHTTKDM4EMEN1
SCHEMBL10170365 0.88 MAPT (0.44) ALDH1A1POLBHTTKDM4EMEN1
SCHEMBL10170360 0.87 KMT2A (0.42) ALDH1A1POLBHTTKDM4EMEN1
SCHEMBL10170272 0.86 KDM4E (0.41) ALDH1A1POLBHTTKDM4EMEN1
SCHEMBL10170341 0.86 KMT2A (0.41) ALDH1A1POLBHTTKDM4EMEN1
SCHEMBL10169945 0.85 SMN1; SMN2 (0.41) ALDH1A1POLBHTTKDM4EMEN1

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 ALDH1A1 476/4885POLB 3154/4885HTT 1837/4885

“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.