SCHEMBL23487609

SCHEMBL23487609

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(C#N)c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 2/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
CSNK2A1 P68400 1/20 0.35
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
ABCB1 P08183 1/20 0.34
GABRA1 P14867 1/20 0.34
NPSR1 Q6W5P4 4/20 0.34
KDM4E B2RXH2 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL23487796 0.97 SQOR (0.36) SQORCTSSCTSKGABRG2GABRB3
SCHEMBL23487719 0.92 SQOR (0.38) SQORCTSSCTSKGABRG2GABRB3
SCHEMBL21108411 0.92 ABCG2 (0.38) GABRG2GABRB3GABRA5GABRA3ABCG2
SCHEMBL19919435 0.91 GABRG2 (0.38) SQORCTSSCTSKGABRG2GABRB3
SCHEMBL21278735 0.91 ABCG2 (0.36) SQORCTSSCTSKGABRG2GABRB3
SCHEMBL22563463 0.90 SQOR (0.36) SQORCTSSCTSKGABRG2GABRB3
SCHEMBL22563400 0.90 CTSS (0.37) CTSSCTSKGABRG2GABRB3GABRA5
SCHEMBL19942743 0.89 ABCG2 (0.38) GABRG2GABRB3GABRA5GABRA3ABCG2
SCHEMBL19909533 0.88 SQOR (0.36) SQORCTSSCTSKGABRG2GABRB3
SCHEMBL23127665 0.88 ABCG2 (0.38) SQORCTSSCTSKGABRG2GABRB3

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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-10 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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 SQOR 412/4885CTSS 4056/4885CTSK 3500/4885

“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.