SCHEMBL21396938

SCHEMBL21396938

C[Si]1(C)c2ccccc2N(c2ccc(C#N)c(-c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)nc3)c2)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RET P07949 18/20 0.35
HDAC1 Q13547 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
SCHEMBL19344972 0.83 ALDH1A1 (0.35)
SCHEMBL21396767 0.83 AR (0.40) RETHDAC1
SCHEMBL21397036 0.82 FNTA (0.36) RETHDAC1
SCHEMBL21397151 0.82 GPR119 (0.33) RETHDAC1
SCHEMBL21397028 0.81 GRIA1 (0.34)
SCHEMBL21397027 0.81 ALDH1A1 (0.36) RET
SCHEMBL21397030 0.79 GABRA1 (0.36) RET
SCHEMBL19345073 0.78 PGR (0.35)
SCHEMBL21396728 0.76 AR (0.32) RETHDAC1
SCHEMBL19345010 0.76 ALDH1A1 (0.35)

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 RET 3927/4885HDAC1 2295/4885

“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.