SCHEMBL17815439

SCHEMBL17815439

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
ESR1 P03372 2/20 0.31
ACHE P22303 1/20 0.30
AR P10275 1/20 0.30
ESR2 Q92731 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
SCHEMBL17811497 0.92 NR1H2 (0.37) NR1H2NR1H3PDE4APDE4BPDE4C
SCHEMBL17811491 0.81 ACHE (0.42) NR1H2NR1H3PDE4APDE4BPDE4C
SCHEMBL20306677 0.74 PTGS2 (0.37) PDE4APDE4BPDE4CPDE4DRXRA
SCHEMBL17815539 0.74 SLC6A4 (0.39) PDE4APDE4BPDE4CPDE4DRXRA
SCHEMBL20306696 0.74 ALDH1A1 (0.46)
SCHEMBL17811494 0.74
SCHEMBL17811498 0.72 ACHE (0.39) NR1H2NR1H3PDE4APDE4BPDE4C
SCHEMBL17811469 0.70 RAB9A (0.48) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL17811495 0.70 NR1H2 (0.38) NR1H2NR1H3PDE4APDE4BPDE4C
SCHEMBL17815473 0.69 MAOA (0.44) SMN1; SMN2AR

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-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

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 NR1H2 3711/4885NR1H3 3601/4885PDE4A 3472/4885
US-20160159956-A1 Polymerisation Initiators ELOVL5, ELOVL3, ELOVL1 NR1H2 3711/4885NR1H3 3601/4885PDE4A 3472/4885

“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.