SCHEMBL17811491

SCHEMBL17811491

C/C=C(/c1ccc([Si](C)(C)C)cc1)c1cccc(/C(=C/C)c2ccc([Si](C)(C)C)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
RXRG P48443 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
HPGD P15428 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
SCHEMBL17811498 0.89 ACHE (0.39) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL17815439 0.81 NR1H2 (0.37) ACHERXRARXRBPDE4APDE4B
SCHEMBL17811497 0.79 NR1H2 (0.37) PDE4APDE4BPDE4CPDE4DNR1H2
SCHEMBL17811477 0.75 RAB9A (0.33) RXRARXRBPDE4APDE4BPDE4C
SCHEMBL17811488 0.74 ACHE (0.43) ACHERXRARXRBPDE4APDE4B
SCHEMBL17811494 0.73
SCHEMBL17811469 0.73 RAB9A (0.48) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL17815536 0.71
SCHEMBL16559384 0.69 PARP1 (0.46) HPGD
SCHEMBL20306677 0.69 PTGS2 (0.37) RXRARXRBPDE4APDE4BPDE4C

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-10005869-B2 Polymerisation initiators TRINSEO EUROPE GMBH (CH) 2018-06-26 US disclosed
US-20160159956-A1 Polymerisation Initiators TRINSEO EUROPE GMBH (CH) 2016-06-09 US disclosed
US-20160159956-A1 Polymerisation Initiators TRINSEO EUROPE GMBH (CH) 2016-06-09 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-10005869-B2 Polymerisation initiators ELOVL5, ELOVL3, ELOVL1 ACHE 3731/4885RXRA 2966/4885RXRB 3542/4885
US-20160159956-A1 Polymerisation Initiators ELOVL5, ELOVL3, ELOVL1 ACHE 3731/4885RXRA 2966/4885RXRB 3542/4885

“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.