SCHEMBL3780437

SCHEMBL3780437

CC([SiH3])=C(C)CN(C1CCCCC1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADH1A P07327 3/20 0.32
ADH1C P00326 2/20 0.32
PHGDH O43175 2/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL3763418 0.98 GAA (0.36) NPSR1GAAALDH1A1CYP1A2CYP2D6
SCHEMBL9461267 0.71 PHGDH (0.37) NPSR1GAAALDH1A1CYP1A2CYP2D6
SCHEMBL5800001 0.68 NPSR1 (0.44) NPSR1GAAALDH1A1CYP2C19MEN1
SCHEMBL9461262 0.68 GAA (0.34) NPSR1GAAALDH1A1CYP1A2CYP2D6
SCHEMBL24920628 0.67 GAA (0.40) NPSR1GAAALDH1A1ADH1AADH1C
SCHEMBL7296171 0.67 NPSR1 (0.46) NPSR1GAAALDH1A1MEN1KMT2A
SCHEMBL8186827 0.67 NPSR1 (0.43) NPSR1GAAALDH1A1CYP1A2CYP2D6
SCHEMBL5703370 0.66 ADH1A (0.50) NPSR1GAAALDH1A1CYP1A2CYP2D6
SCHEMBL10652717 0.66 ADH1A (0.35) NPSR1GAAALDH1A1CYP1A2CYP2D6
SCHEMBL23319719 0.66 ADH1A (0.35) NPSR1GAAALDH1A1CYP1A2CYP2D6

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
US-8436166-B2 Amino-containing vinylsilane compounds and making method SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-05-07 US disclosed
US-20100317852-A1 AMINO-CONTAINING VINYLSILANE COMPOUNDS AND MAKING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-12-16 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-20100317852-A1 AMINO-CONTAINING VINYLSILANE COMPOUNDS AND MAKING METHOD BHMT2, GNMT, VASP NPSR1 2418/4885GAA 4442/4885ALDH1A1 4204/4885

“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.