SCHEMBL23969027

SCHEMBL23969027

C[Si](C)(C)c1ccc(-c2cc3c(cc2C#N)C(=C(C#N)C#N)c2cc(C#N)c(-c4ccc([Si](C)(C)C)cc4)cc2-3)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 2/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PDE5A O76074 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
PTGS1 P23219 1/20 0.31
PDE4A P27815 1/20 0.31

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
SCHEMBL23968847 0.82 MMP3 (0.39) ALDH1A1MAPTPKMGAAMEN1
SCHEMBL21917132 0.82 MMP3 (0.39) ALDH1A1MAPTPKMGAAMEN1
SCHEMBL21917279 0.81 MMP3 (0.42) ALDH1A1MAPTPKMGAAMEN1
SCHEMBL21917430 0.81 CNR1 (0.38) ALDH1A1MAPTPKMGAAMEN1
SCHEMBL23968949 0.81 CNR1 (0.38) ALDH1A1MAPTPKMGAAMEN1
SCHEMBL23968923 0.81 PDE3B (0.44) ALDH1A1MAPTPKMGAACYP2C19
SCHEMBL21917341 0.80 ALDH1A1 (0.42) ALDH1A1MAPTPKMGAACYP2C19
SCHEMBL23969123 0.80 ALDH1A1 (0.42) ALDH1A1MAPTPKMGAACYP2C19
SCHEMBL21917429 0.80 KIF11 (0.42) ALDH1A1MAPTTDP1CNR1XDH
SCHEMBL21917103 0.80 KIF11 (0.42) ALDH1A1MAPTTDP1CNR1XDH

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-11165025-B2 Compound and organic electronic element comprising same LG CHEM, LTD. 2021-11-02 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-11165025-B2 Compound and organic electronic element comprising same OR10J3, ESR1, ETV6 ALDH1A1 1094/4885MAPT 1908/4885PKM 2603/4885

“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.