SCHEMBL13697100

SCHEMBL13697100

C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.47
CYP11B2 P19099 2/20 0.47
PTGS2 P35354 5/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL76484 0.89 CYP19A1 (0.53) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL29416717 0.89 CYP19A1 (0.53) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL13697102 0.88 CYP19A1 (0.39) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL4826058 0.87 CYP19A1 (0.52) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL13930401 0.87 CYP19A1 (0.60) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL13930391 0.87 CYP19A1 (0.60) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL2322371 0.84 ESR1 (0.58) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL4828637 0.83 ESR1 (0.49) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL4828631 0.83 ESR1 (0.49) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL13511000 0.81 PTGS2 (0.55) CYP19A1CYP11B2PTGS2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090236975-A1 SILICON-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-09-24 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-20090236975-A1 SILICON-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE UTILIZING THE SAME ESPL1, EML4, EED CYP19A1 1484/4885CYP11B2 4103/4885PTGS2 4324/4885

“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.