SCHEMBL13697102

SCHEMBL13697102

C(=C(c1ccccc1)c1ccccc1)c1cccc(-c2c3ccccc3c(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.39
CYP11B2 P19099 2/20 0.39
ESR1 P03372 4/20 0.36
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 3/20 0.31
AKR1C1 Q04828 1/20 0.30
CYP2D6 P10635 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 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
SCHEMBL13697100 0.88 CYP19A1 (0.47) CYP19A1CYP11B2ESR1PTGS2TDP1
SCHEMBL4827188 0.88 TRIM24 (0.42) CYP19A1CYP11B2ESR1TRIM24TRIM33
SCHEMBL4828680 0.86 TRIM24 (0.43) CYP19A1CYP11B2ESR1TRIM24TRIM33
SCHEMBL1102929 0.81 CYP19A1 (0.51) CYP19A1CYP11B2ESR1TDP1CYP2D6
SCHEMBL1103124 0.80 CYP19A1 (0.43) CYP19A1CYP11B2ESR1TDP1ESR2
SCHEMBL1103494 0.79 ALDH1A1 (0.41) CYP19A1CYP11B2ESR1TDP1ALDH1A1
SCHEMBL2086861 0.79 CYP19A1 (0.44) CYP19A1CYP11B2ESR1TRIM24TRIM33
SCHEMBL2322371 0.78 ESR1 (0.58) CYP19A1CYP11B2ESR1PTGS2ALDH1A1
SCHEMBL14510113 0.77 KDM4E (0.38) CYP19A1CYP11B2ESR1TDP1ALDH1A1
SCHEMBL4828677 0.77 ESR1 (0.37) CYP19A1CYP11B2ESR1TRIM24TRIM33

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 4103/4885ESR1 102/4885

“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.