SCHEMBL4248602

SCHEMBL4248602

[CH2]CCN(C(C)=O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
ADH1A P07327 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL9812911 0.82 PIK3CD (0.40) PIK3CDALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL4281691 0.82 ADH1A (0.48) PIK3CDALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL9728254 0.82 PIK3CD (0.42) PIK3CDALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL9462350 0.80 ADH1A (0.47) PIK3CDALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL628951 0.79 L3MBTL1 (0.42) PIK3CDALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL13135422 0.78 KMT2A (0.41) PIK3CDALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL658992 0.78 L3MBTL1 (0.50) PIK3CDALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL13911314 0.78 ADH1A (0.44) PIK3CDALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL18711467 0.77 DPP4 (0.41) PIK3CDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL9632418 0.77 THRA (0.43) ADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902392-B2 Method for the production of organosilicon compounds comprising carboxy radicals WACKER CHEMIE AG (DE) 2011-03-08 US disclosed
US-20090221842-A1 METHOD FOR THE PRODUCTION OF ORGANOSILICON COMPOUNDS COMPRISING CARBOXY RADICALS WACKER CHEMIE AG (DE) 2009-09-03 US disclosed
EP-1737872-B1 METHOD FOR THE PRODUCTION OF ORGANOSILICON COMPOUNDS COMPRISING CARBOXY RADICALS WACKER CHEMIE AG (DE) 2007-08-15 EP disclosed
EP-1737872-A1 METHOD FOR THE PRODUCTION OF ORGANOSILICON COMPOUNDS COMPRISING CARBOXY RADICALS Wacker Chemie AG (DE) 2007-01-03 EP disclosed
WO-2005103060-A1 METHOD FOR THE PRODUCTION OF ORGANOSILICON COMPOUNDS COMPRISING CARBOXY RADICALS WACKER CHEMIE AG (DE) 2005-11-03 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-20090221842-A1 METHOD FOR THE PRODUCTION OF ORGANOSILICON COMPOUNDS COMPRISING CARBOXY RADICALS HAO2, CBR3, SOD3 PIK3CD 4178/4885ALDH1A1 1595/4885KDM4E 2297/4885

“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.