SCHEMBL4889490

SCHEMBL4889490

C=CCOc1c(C(C)(C)C)cc(C)cc1[Si](C)(Cl)CC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL1905083 0.88 CYP3A4 (0.32) CYP3A4CYP2D6
SCHEMBL30250913 0.88 CYP3A4 (0.32) CYP3A4CYP2D6
SCHEMBL2914677 0.88 CYP3A4 (0.36) CYP3A4CYP2D6CA12CA9PTGS1
SCHEMBL29659210 0.88 CYP3A4 (0.36) CYP3A4CYP2D6CA12CA9PTGS1
SCHEMBL4887381 0.84 CYP3A4 (0.31) CYP3A4CYP2D6
SCHEMBL4887287 0.81 CYP3A4 (0.32) CYP3A4CYP2D6
SCHEMBL9255038 0.80 CYP2D6 (0.43) CYP3A4CYP2D6CA12CA9PTGS1
SCHEMBL29208887 0.79 MAPT (0.32) CYP3A4CYP2D6
SCHEMBL23350471 0.78 CYP3A4 (0.33) CYP3A4CYP2D6CA12CA9
SCHEMBL20792007 0.78 CYP3A4 (0.33) CYP3A4CYP2D6CA12CA9

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-8084559-B2 Ethylene-vinylcyclohexane copolymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-27 US disclosed
US-20080161514-A1 Transition Metal Complex, Process For Producing Said Transition Metal Complex, Substituent-Carrying Fluorene Compound, Process For Producing Said Fluorene Compound, Catalyst Component For Olefin Polymerization, Catalyst For Olefin Polymerization, and Process For Producing Olefin Polymer SUMITOMO CHEMICAL COMPANY, LIMTIED (JP) 2008-07-03 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-20080161514-A1 Transition Metal Complex, Process For Producing Said Transition Metal Complex, Substituent-Carrying Fluorene Compound, Process For Producing Said Fluorene Compound, Catalyst Component For Olefin Polymerization, Catalyst For Olefin Polymerization, and Process For Producing Olefin Polymer AOC2, ACSL1, ACSL3 CYP3A4 147/4885CYP2D6 297/4885CA12 2292/4885

“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.