SCHEMBL12908115

SCHEMBL12908115

CC(C)(C)OC(=O)NCc1cccc(Oc2cccc(C#C[Si](C)(C)C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.42
BRD4 O60885 3/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 1/20 0.39
CREBBP Q92793 1/20 0.38
MMP13 P45452 2/20 0.38
PTGES O14684 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL4217167 0.91 GLS (0.46) GLSBRD4DDB1CRBNL3MBTL1
SCHEMBL922872 0.85 MMP13 (0.44) MMP13PPARGPPARDPPARAALDH1A1
SCHEMBL29828955 0.80 POLB (0.47) GLSDDB1CRBNPTGESHTT
SCHEMBL24061763 0.79 L3MBTL1 (0.50) BRD4L3MBTL1NAMPT
SCHEMBL12908113 0.78 MMP13 (0.46) GLSBRD4CREBBPMMP13PPARG
SCHEMBL21481482 0.78 GLS (0.46) GLSBRD4CREBBPMMP13PPARG
SCHEMBL30441417 0.78 GLS (0.49) GLSBRD4GFERHSD17B10L3MBTL1
SCHEMBL26203104 0.78 GLS (0.49) GLSBRD4GFERHSD17B10L3MBTL1
SCHEMBL21481481 0.78 AKR1C3 (0.51) GLSMMP13PPARGPPARDPPARA
SCHEMBL27812229 0.78 MAPK14 (0.49) GLSMMP13PPARGPPARDPPARA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 GLS 816/4885BRD4 2306/4885DDB1 3640/4885

“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.