SCHEMBL23968948

SCHEMBL23968948

N#Cc1cc2c(cc1-c1ccccc1)-c1cc(-c3ccccc3)c(C#N)cc1C2C(C#N)C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
GALR3 O60755 1/20 0.37
GAA P10253 1/20 0.37
CYP19A1 P11511 2/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
AR P10275 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LRRK2 Q5S007 2/20 0.33
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 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
SCHEMBL23969122 0.84 KDM4E (0.39) NPSR1KDM4EHPGDL3MBTL1GABRG2
SCHEMBL23968849 0.81
SCHEMBL23968967 0.80
SCHEMBL29466494 0.77 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL25568572 0.76 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL23969105 0.76 KIF11 (0.41) ALDH1A1ARTDP1CNR1
SCHEMBL23968968 0.75
SCHEMBL23968959 0.75 AR (0.36) KDM4EARL3MBTL1
SCHEMBL23969065 0.74 CYP1A2 (0.39) ALDH1A1CYP1A2CYP2C9KDM4EHPGD
SCHEMBL21917666 0.68 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1

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 1094/4885CYP1A2 758/4885CYP2C9 239/4885

“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.