SCHEMBL23487307

SCHEMBL23487307

Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccc(-c5cc(C)cc(C)c5)cc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.42
ADORA1 P30542 4/20 0.42
HPGD P15428 4/20 0.42
KDM4E B2RXH2 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
L3MBTL1 Q9Y468 5/20 0.40
ALDH1A1 P00352 4/20 0.39
SQOR Q9Y6N5 4/20 0.38
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.37
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL23487670 0.97 HPGD (0.40) ADORA2AADORA1HPGDKDM4ENPSR1
SCHEMBL23487777 0.94 ADORA2A (0.49) ADORA2AADORA1HPGDKDM4ENPSR1
SCHEMBL19942711 0.93 ADORA1 (0.36) ADORA2AADORA1HPGDKDM4ENPSR1
SCHEMBL19909224 0.93 ADORA1 (0.44) ADORA2AADORA1HPGDKDM4ENPSR1
SCHEMBL23487313 0.92 ADORA1 (0.48) ADORA2AADORA1HPGDKDM4ENPSR1
SCHEMBL22563575 0.91 ADORA1 (0.41) ADORA2AADORA1HPGDKDM4ENPSR1
SCHEMBL22563585 0.91 ADORA2A (0.47) ADORA2AADORA1HPGDKDM4ENPSR1
SCHEMBL22563488 0.90 ALDH1A1 (0.43) ADORA2AADORA1HPGDKDM4ENPSR1
SCHEMBL21109729 0.90 PDE9A (0.35) ADORA2AADORA1HPGDKDM4ENPSR1
SCHEMBL19913314 0.90 ADORA2A (0.41) ADORA2AADORA1HPGDKDM4ENPSR1

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 ADORA2A 4354/4885ADORA1 4564/4885HPGD 1547/4885

“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.