SCHEMBL11905643

SCHEMBL11905643

CC(C)(C)O[SiH2]CCCNCCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.35
S1PR1 P21453 4/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR5 Q9H228 1/20 0.33
TSHR P16473 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
ADRA1A P35348 1/20 0.30

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
SCHEMBL16592682 0.82 LMNA (0.40) TSHRHDAC11
SCHEMBL16592666 0.80 LMNA (0.44) TSHRHDAC11
SCHEMBL16592785 0.78 EGLN1 (0.35) TSHRHDAC3HDAC1HDAC2HDAC8
SCHEMBL20578007 0.77 CA12 (0.42) TSHR
SCHEMBL11905223 0.77 LTA4H (0.35) LTA4HS1PR1S1PR3S1PR5TSHR
SCHEMBL11905183 0.75 LTA4H (0.40) LTA4H
SCHEMBL3909982 0.74 CYP2C19 (0.42) TSHR
SCHEMBL11905891 0.73 KDM5A (0.42) TSHR
SCHEMBL28025402 0.72 MAOA (0.37)
SCHEMBL11905202 0.72 MEN1 (0.35) S1PR1S1PR3TSHR

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-9567354-B2 Amino acid-modified silane compounds and making method SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-02-14 US disclosed
US-20120209020-A1 AMINO ACID-MODIFIED SILANE COMPOUNDS AND MAKING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-08-16 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-20120209020-A1 AMINO ACID-MODIFIED SILANE COMPOUNDS AND MAKING METHOD BCAT2, BCAT1, ASNS LTA4H 595/4885S1PR1 3879/4885S1PR3 4177/4885

“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.