SCHEMBL5037597

SCHEMBL5037597

C[Si](C)(C)OC(C#N)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ACP3 P15309 1/20 0.42
HTT P42858 1/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL6227716 0.85 VCAM1 (0.43) ALDH1A1KDM4ETSHRLMNAMAPT
SCHEMBL2191814 0.84 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRLMNAMAPT
SCHEMBL22095405 0.82 MAPT (0.44) ALDH1A1KDM4ETSHRMAPTACHE
SCHEMBL3845818 0.76 KMT2A (0.54) ALDH1A1KDM4ETSHRLMNAMAPT
SCHEMBL8870718 0.76 KMT2A (0.54) ALDH1A1KDM4ETSHRLMNAMAPT
SCHEMBL7088040 0.76 GAA (0.44) ALDH1A1TSHRMAPTSMN1; SMN2ACP3
SCHEMBL3830094 0.75 GAA (0.39) ALDH1A1TSHRLMNAMAPTSMN1; SMN2
SCHEMBL11038956 0.75 IDO1 (0.38) ACHE
SCHEMBL11041179 0.75 TDP1 (0.47) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL2610137 0.74 L3MBTL1 (0.42) ALDH1A1KDM4EHTTACHEHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115873262-A Heterogeneous catalyst polycarboxy zinc polymer and application thereof in catalyzing silicon cyanation reaction of benzaldehyde derivative 广东轻工职业技术学院 2023-03-31 CN disclosed
CN-115746327-A Manganese (II) metal catalyst for silicon cyanation reaction of benzaldehyde derivative, and preparation method and application thereof 广东轻工职业技术学院 2023-03-07 CN disclosed
CN-112920223-B Catalyst for silicon cyanation reaction of aldehyde and trimethylsilyl cyanide and preparation method thereof 兰州大学 2022-09-20 CN disclosed
CN-112920223-A Catalyst for silicon cyanation reaction of aldehyde and trimethylsilyl cyanide and preparation method thereof 兰州大学 2021-06-08 CN disclosed
EP-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
CN-1714079-A Mandelic acid derivatives HOFFMANN LA ROCHE (CH) 2005-12-28 CN disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 ALDH1A1 519/4885KDM4E 2563/4885TSHR 2403/4885

“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.