SCHEMBL21397028

SCHEMBL21397028

C[Si]1(C)c2ccccc2N(c2ccnc(-c3cc(N4c5ccccc5[Si](C)(C)c5ccccc54)ccc3C#N)c2)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.34
GRIA3 P42263 1/20 0.34
PDE4D Q08499 1/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AR P10275 3/20 0.32
GABRA1 P14867 2/20 0.32
GRM5 P41594 2/20 0.32
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL19344972 0.86 ALDH1A1 (0.35) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21397200 0.81 AR (0.41) GRIA1GRIA3PDE4DARGABRA1
SCHEMBL21397047 0.81 HDAC6 (0.35) GRIA1GRIA3PDE4DALDH1A1LMNA
SCHEMBL21397129 0.81 GRIA1 (0.33) GRIA1GRIA3PDE4DALDH1A1LMNA
SCHEMBL21396938 0.81 RET (0.35)
SCHEMBL19345010 0.79 ALDH1A1 (0.35) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21396738 0.78 AR (0.37) GRIA1GRIA3PDE4DARGABRA1
SCHEMBL21396726 0.75 AR (0.33) GRIA1GRIA3PDE4DAR
SCHEMBL19345073 0.74 PGR (0.35) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL19344968 0.74 ALDH1A1 (0.34) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2

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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 GRIA1 2754/4885GRIA3 3646/4885PDE4D 4735/4885

“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.