SCHEMBL4396869

SCHEMBL4396869

C[Si](C)(C)CCCC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
FAAH O00519 1/20 0.37
CNR1 P21554 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALOX15 P16050 3/20 0.32
BLM P54132 3/20 0.32
PMP22 Q01453 3/20 0.32
LMNA P02545 2/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL5482205 0.90 SOAT1 (0.43) SOAT1KMT2ATP53CYP1A2CYP3A4
SCHEMBL5372245 0.86
SCHEMBL7357126 0.79 CASP2 (0.41) KMT2AMEN1FAAHCNR1ALDH1A1
SCHEMBL13311093 0.78 ALDH1A1 (0.47) KDM4ELMNAALDH1A1TDP1
SCHEMBL2786329 0.78 LMNA (0.53) KMT2AMEN1ALOX15PMP22LMNA
SCHEMBL18227267 0.77 TSHR (0.33) SOAT1KMT2ATP53CYP1A2CYP3A4
SCHEMBL11205937 0.76 ALDH1A1 (0.52) TP53ALDH1A1
SCHEMBL28137036 0.75 TSHR (0.37) SOAT1KMT2ATP53CYP1A2CYP3A4
SCHEMBL27499341 0.75 MEN1 (0.32) SOAT1KMT2ATP53CYP1A2CYP3A4
SCHEMBL373594 0.74 FNTA (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368606-B Method for the production of thin inorganic films 巴斯夫欧洲公司 2021-04-13 CN disclosed
US-20090306015-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS SILAMED, INC. (US) 2009-12-10 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-20090306015-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS SI, SCLY, SGMS1 SOAT1 257/4885KMT2A 2770/4885TP53 1618/4885

“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.