SCHEMBL5205595

SCHEMBL5205595

CCC1C=C([Si](C)(C)C)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.33
HTR6 P50406 3/20 0.33
ACHE P22303 2/20 0.33
BCHE P06276 1/20 0.33
GPR3 P46089 1/20 0.31
HTR2A P28223 1/20 0.31
NOS2 P35228 1/20 0.31
HTR5A P47898 1/20 0.30
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD1 P21728 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL6129625 0.87 HTR6 (0.39) HTR6ACHEBCHEGPR3HTR2A
SCHEMBL5702854 0.86 HTR6 (0.36) HTR6ACHEBCHEHTR5A
SCHEMBL6345275 0.75 ACHE (0.35) HTR6ACHEBCHEGPR3HTR2A
SCHEMBL8857527 0.73 GPR3 (0.38) ACHEBCHEGPR3HTR2ACHRM2
SCHEMBL7624281 0.73 HTR6 (0.47) HTR6ACHEBCHEGPR3HTR2A
SCHEMBL7542082 0.73 GPR3 (0.33) GPR3
SCHEMBL29979921 0.73 GPR3 (0.33) GPR3
SCHEMBL6355109 0.73 HTR6 (0.44) HTR6ACHEBCHEGPR3HTR2A
Hydrochloric Acid SCHEMBL2289539 0.72 HTR6 (0.33) HTR6
SCHEMBL9699259 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066226-B1 SYNTHESIS AND ISOMERIZATION OF 1,2-BIS (INDENYL) ETHANES BOULDER SCIENT CO (US) 2007-08-29 EP claimed
EP-1066226-A4 SYNTHESIS AND ISOMERIZATION OF 1,2-BIS (INDENYL) ETHANES BOULDER SCIENT CO (US) 2005-03-09 EP claimed
EP-1066226-A1 SYNTHESIS AND ISOMERIZATION OF 1,2-BIS (INDENYL) ETHANES BOULDER SCIENTIFIC COMPANY (US) 2001-01-10 EP claimed
WO-2000043331-A2 SYNTHESIS AND ISOMERIZATION OF 1,2-BIS (INDENYL) ETHANES BOULDER SCIENTIFIC COMPANY (US) 2000-07-27 WO claimed
EP-1066226-B1 SYNTHESIS AND ISOMERIZATION OF 1,2-BIS (INDENYL) ETHANES BOULDER SCIENT CO (US) 2007-08-29 EP disclosed
US-6441258-B1 ISOMERIZING KINETIC EBI TO THERMODYNAMIC EBI AND ISOMERIZING MESO TMS-EBI TO RACEMIC TMS-EBI; PREPARATION OF A GROUP IV METAL METALLOCENE OLEFIN POLYMERIZATION CATALYST. BOULDER SCIENTIFIC COMPANY 2002-08-27 US disclosed
US-20020045789-A1 Synthesis and isomerization of 1,2-bis (indenyl) ethanes BOULDER SCIENTIFIC COMPANY 2002-04-18 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 (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-20020045789-A1 Synthesis and isomerization of 1,2-bis (indenyl) ethanes RAC1, RABGGTB, GDI1 JAK2 4239/4885HTR6 247/4885ACHE 1405/4885

“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.