SCHEMBL3584747

SCHEMBL3584747

CCOC(=O)CNC(=O)CC(=O)OCC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.68
MGAM O43451 1/20 0.61
SI P14410 1/20 0.61
MGAM2 Q2M2H8 1/20 0.61
ALDH1A1 P00352 5/20 0.53
TSHR P16473 2/20 0.53
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PPID Q08752 2/20 0.46
MAPT P10636 1/20 0.45
TRPA1 O75762 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PPIB P23284 1/20 0.44
PPIA P62937 1/20 0.44
PPIG Q13427 1/20 0.44
RECQL P46063 1/20 0.43

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
SCHEMBL13602806 0.91 GAA (0.63) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12323562 0.87 GAA (0.63) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL16761916 0.87 GAA (0.63) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5184954 0.86 GAA (0.68) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3709329 0.86 GAA (0.53) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14498356 0.86 GAA (0.53) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL25379842 0.85 GAA (0.72) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14890530 0.85 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7294998 0.85 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6245341 0.84 GAA (0.66) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114149454-B 3d-4f bionic metal cage and preparation method and application thereof 兰州大学 2023-05-12 CN disclosed
CN-114796184-B Compound containing semi-rigid acylhydrazone ligand, and preparation method and application thereof 兰州大学 2023-04-25 CN disclosed
CN-114796184-A Compound containing semi-rigid acylhydrazone ligand and preparation method and application thereof 兰州大学 2022-07-29 CN disclosed
CN-114766485-A Application of semi-rigid acylhydrazone ligand in herbicide and composite herbicide based on semi-rigid acylhydrazone ligand 兰州大学 2022-07-22 CN disclosed
CN-114181109-A Semi-rigid acylhydrazone ligand and preparation method thereof 兰州大学 2022-03-15 CN disclosed
CN-114149454-A 3d-4f bionic metal cage and preparation method and application thereof 兰州大学 2022-03-08 CN disclosed
US-7674810-B2 1,1-dioxo-1H-1Λ6-benzo[d]isothiazol-3-yl)-4-hydroxy-1,5-dihydro-pyrrol-2-one inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2010-03-09 US disclosed
CN-101189230-A Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (CH) 2008-05-28 CN disclosed
EP-1879885-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2008-01-23 EP disclosed
US-7211278-B2 Treating method for suppressing hair growth KAO CORPORATION (JP) 2007-05-01 US disclosed
US-7211278-B2 Treating method for suppressing hair growth KAO CORPORATION (JP) 2007-05-01 US disclosed
WO-2006117306-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-11-09 WO disclosed
US-20060252785-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-11-09 US disclosed
US-20020099070-A1 Dihydronaphthyridine potassium channel openers ABBOTT LABORATORIES 2002-07-25 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 (2 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-20060252785-A1 Heterocyclic antiviral compounds EIF2AK2, HAVCR2, POLR2E GAA 925/4885MGAM 3134/4885SI 2209/4885
US-20020099070-A1 Dihydronaphthyridine potassium channel openers KCNH1, KCNN1, KCNJ2 GAA 1909/4885MGAM 4645/4885SI 1942/4885

“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.