SCHEMBL21397030

SCHEMBL21397030

C[Si]1(C)c2ccccc2N(c2ccc(-c3cc(C#N)ccc3N3c4ccccc4[Si](C)(C)c4ccccc43)cn2)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
EGLN1 Q9GZT9 4/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
PGGT1B P53609 2/20 0.33
MET P08581 1/20 0.32
RET P07949 2/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL21397022 0.89 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21397025 0.82 PGR (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21397027 0.82 ALDH1A1 (0.36) CYP11B2KDM4EALDH1A1L3MBTL1RET
SCHEMBL21397153 0.82 ABL1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21397034 0.82 LMNA (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21396700 0.81 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21396938 0.79 RET (0.35) RET
SCHEMBL21397158 0.79 PDK2 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21396643 0.78 CYP11B1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21396640 0.76 BRD4 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3

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 GABRA1 2479/4885GABRG2 3243/4885GABRB3 2616/4885

“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.