SCHEMBL3771444

SCHEMBL3771444

C=C[Si](C)(C)CCCN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 1/20 0.45
HPGD P15428 1/20 0.43
DUSP3 P51452 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
SCN1A P35498 1/20 0.42
HTR2B P41595 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
LMNA P02545 3/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL3768594 0.89 ALDH1A1 (0.41) KEAP1SMN1; SMN2RAB9AHPGDDUSP3
SCHEMBL2503262 0.88 CSNK2A2 (0.33) KEAP1SMN1; SMN2RAB9AHRH3
SCHEMBL27840223 0.85 HRH3 (0.38) SMN1; SMN2RAB9AALDH1A1MAPK1CYP1A2
SCHEMBL3775966 0.85 HRH3 (0.43) SMN1; SMN2ALDH1A1MAPK1CYP1A2KCNH2
SCHEMBL2509146 0.83 HRH3 (0.46) SMN1; SMN2MAPK1CYP1A2KCNH2HRH3
SCHEMBL11647717 0.79 KEAP1 (0.52) KEAP1SMN1; SMN2RAB9AHPGDDUSP3
SCHEMBL13532385 0.78 KEAP1 (0.56) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL3773256 0.78 USP2 (0.37) KEAP1SMN1; SMN2RAB9AALDH1A1MAPK1
SCHEMBL20537222 0.76 MAPT (0.31)
SCHEMBL20536718 0.76 MAPT (0.31)

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 KEAP1 2182/4885SMN1; SMN2 3546/4885RAB9A 2703/4885

“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.