SCHEMBL1668244

SCHEMBL1668244

CC(C)CC(CO)CCO

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.34
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
TRPA1 O75762 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
SCHEMBL3199611 0.85
SCHEMBL12039716 0.83 TSHR (0.42) TSHRALDH1A1MAPK1CACNA2D1CACNB3
SCHEMBL15158732 0.82 TSHR (0.53) TSHRALDH1A1MAPK1CACNA2D1CACNB3
SCHEMBL18231993 0.81 TSHR (0.48) TSHRALDH1A1CACNA2D1CACNB3CACNA1C
SCHEMBL27465229 0.81 ALDH1A1 (0.37) TSHRALDH1A1MAPK1ALOX15CACNA2D1
SCHEMBL12059090 0.81 TSHR (0.48) TSHRALDH1A1CACNA2D1CACNB3CACNA1C
SCHEMBL19428361 0.81 TSHR (0.48) TSHRALDH1A1CACNA2D1CACNB3CACNA1C
SCHEMBL14646731 0.79 TSHR (0.40) TSHRALDH1A1MAPK1ALOX15CACNA2D1
SCHEMBL27831068 0.79 CACNA2D1 (0.50) TSHRALDH1A1MAPK1ALOX15CACNA2D1
SCHEMBL7367890 0.79 CACNA2D1 (0.50) TSHRALDH1A1MAPK1ALOX15CACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN claimed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN claimed
US-9096622-B2 Method of producing an aminoalkylalkoxysilane DOW CORNING CORPORATION (US) 2015-08-04 US disclosed
EP-2488538-B1 METHOD OF PRODUCING AN AMINOALKYLALKOXYSILANE DOW CORNING (US) 2013-08-28 EP disclosed
EP-2488538-A1 METHOD OF PRODUCING AN AMINOALKYLALKOXYSILANE Dow Corning Corporation (US) 2012-08-22 EP disclosed
US-20120190876-A1 Method Of Producing An Aminoalkylalkoxysilane DOW SILICONES CORPORATION 2012-07-26 US disclosed
CN-102596972-A Method of producing an aminoalkylalkoxysilane DOW CORNING 2012-07-18 CN disclosed
WO-2011046791-A1 METHOD OF PRODUCING AN AMINOALKYLALKOXYSILANE DOW CORNING CORPORATION (US) 2011-04-21 WO disclosed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN disclosed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN 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-20120190876-A1 Method Of Producing An Aminoalkylalkoxysilane ASNS, AGPS, HACL2 TSHR 1773/4885ALDH1A1 3017/4885MAPK1 3883/4885

“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.