SCHEMBL4103160

SCHEMBL4103160

CCO[Si](CCCCCC(C)=O)(OCC)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 5/20 0.43
GAA P10253 1/20 0.35
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
ACHE P22303 1/20 0.34
CES2 O00748 3/20 0.32
CES1 P23141 3/20 0.32
DGKA P23743 1/20 0.31
FAAH O00519 1/20 0.31
PPARG P37231 4/20 0.31
PPARD Q03181 4/20 0.31
PPARA Q07869 4/20 0.31
TSHR P16473 3/20 0.31
GPR84 Q9NQS5 3/20 0.31
HDAC11 Q96DB2 3/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
TLR2 O60603 1/20 0.31
MEN1 O00255 1/20 0.31
ESR1 P03372 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
SCHEMBL20390493 0.98 PAOX (0.40) PAOXGAAALDH1A1TDP1ACHE
SCHEMBL11118300 0.92 ALDH1A1 (0.38) PAOXALDH1A1TDP1ACHEHSD17B10
SCHEMBL4528611 0.84 GPR84 (0.50) ALDH1A1TDP1PPARGPPARDPPARA
SCHEMBL4522923 0.84 GPR84 (0.50) ALDH1A1TDP1PPARGPPARDPPARA
SCHEMBL4528271 0.84 GPR84 (0.50) ALDH1A1TDP1PPARGPPARDPPARA
SCHEMBL4517033 0.84 GPR84 (0.50) ALDH1A1TDP1PPARGPPARDPPARA
SCHEMBL4528299 0.84 GPR84 (0.50) ALDH1A1TDP1PPARGPPARDPPARA
SCHEMBL1054786 0.84 GPR84 (0.50) ALDH1A1TDP1PPARGPPARDPPARA
SCHEMBL4532402 0.84 GPR84 (0.50) ALDH1A1TDP1PPARGPPARDPPARA
SCHEMBL4531810 0.84 GPR84 (0.50) ALDH1A1TDP1PPARGPPARDPPARA

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-20090062234-A1 SUBSTITUTED ORGANOPOLYSILOXANES AND USE THEREOF PHOSPHONICS LTD. (GB) 2009-03-05 US disclosed
EP-1791891-A1 SUBSTITUTED ORGANOPOLYSILOXANES AND USE THEREOF Phosphonics LTD (GB) 2007-06-06 EP disclosed
WO-2006013080-A1 SUBSTITUTED ORGANOPOLYSILOXANES AND USE THEREOF PHOSPHONICS LTD (GB) 2006-02-09 WO 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-20090062234-A1 SUBSTITUTED ORGANOPOLYSILOXANES AND USE THEREOF OR10J3, OPRM1, MSR1 PAOX 1710/4885GAA 2929/4885ALDH1A1 3174/4885

“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.