SCHEMBL10019043

SCHEMBL10019043

CCO[Si](CCCOC(=O)CNC(C)=O)(OCC)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NAAA Q02083 1/20 0.33
PPID Q08752 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
PPARG P37231 1/20 0.32
NCOA2 Q15596 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
SCHEMBL15028394 0.85 POLB (0.38) POLBGAATDP1ALDH1A1HPGD
SCHEMBL9323713 0.84 GAA (0.46) POLBGAAALDH1A1HPGDLMNA
SCHEMBL1070484 0.83 GAA (0.38) POLBGAAALDH1A1HPGDLMNA
SCHEMBL27560195 0.83 POLB (0.38) POLBGAATDP1ALDH1A1HPGD
SCHEMBL15806575 0.81 GAA (0.54) POLBGAATDP1ALDH1A1HPGD
SCHEMBL176417 0.81 DGKA (0.42) GAAALDH1A1MAPTNAAA
SCHEMBL1224968 0.81 NAAA (0.52) POLBGAAALDH1A1NAAANPSR1
SCHEMBL9171371 0.81 ALDH1A1 (0.42) ALDH1A1HPGDLMNATSHRHSD17B10
SCHEMBL9323709 0.80 GAA (0.38) POLBGAAALDH1A1HPGDLMNA
Ammonia Solution, Strong SCHEMBL9998830 0.79 ALDH1A1 (0.41) ALDH1A1HPGDLMNATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280737-A1 ALKOXYSILANE DERIVATIVES OF N-ACYL AMINO ACIDS, N-ACYL DIPEPTIDES, AND N-ACYL TRIPEPTIDES, AND PARTICLES AND STABLE OIL-IN-WATER FORMULATIONS USING THE SAME GELEST TECHNOLOGIES, INC. 2016-09-29 US disclosed
US-9358200-B2 Alkoxysilane derivatives of N-acyl amino acids, N-acyl dipeptides, and N-acyl tripeptides, and particles and stable oil-in-water formulations using the same GELEST TECHNOLOGIES, INC. (US) 2016-06-07 US disclosed
US-20120076840-A1 Alkoxysilane Derivatives of N-Acyl Amino Acids, N-Acyl Dipeptides, and N-Acyl Tripeptides, and Particles and Stable Oil-in-Water Formulations Using the Same GELEST TECHNOLOGIES, INC. (US) 2012-03-29 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 (2 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-20160280737-A1 ALKOXYSILANE DERIVATIVES OF N-ACYL AMINO ACIDS, N-ACYL DIPEPTIDES, AND N-ACYL TRIPEPTIDES, AND PARTICLES AND STABLE OIL-IN-WATER FORMULATIONS USING THE SAME ASNS, NPPA, AADAT POLB 1874/4885GAA 2467/4885TDP1 3837/4885
US-20120076840-A1 Alkoxysilane Derivatives of N-Acyl Amino Acids, N-Acyl Dipeptides, and N-Acyl Tripeptides, and Particles and Stable Oil-in-Water Formulations Using the Same ASNS, NPPA, AADAT POLB 1874/4885GAA 2467/4885TDP1 3837/4885

“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.