SCHEMBL22563485

SCHEMBL22563485

Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2C#N)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
KDM4E B2RXH2 4/20 0.39
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
HPGD P15428 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
SQOR Q9Y6N5 5/20 0.37
PDE9A O76083 1/20 0.36
PDE1C Q14123 1/20 0.36
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL21279149 0.97 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EADORA2AADORA1
SCHEMBL22563488 0.97 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4EADORA2AADORA1
SCHEMBL21279146 0.94 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4EADORA2AADORA1
SCHEMBL19942592 0.94 PDE9A (0.37) ALDH1A1L3MBTL1KDM4EADORA2AADORA1
SCHEMBL19909234 0.93 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4EADORA2AADORA1
SCHEMBL23487670 0.91 HPGD (0.40) ALDH1A1L3MBTL1KDM4EADORA2AADORA1
SCHEMBL19942596 0.91 ALDH1A1 (0.37) ALDH1A1L3MBTL1KDM4EADORA2AADORA1
SCHEMBL22562333 0.90 ALDH1A1 (0.38) ALDH1A1L3MBTL1KDM4EADORA2AADORA1
SCHEMBL23487308 0.90 ADORA1 (0.46) ALDH1A1L3MBTL1KDM4EADORA2AADORA1
SCHEMBL19909229 0.90 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4EADORA2AADORA1

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 2 patents. 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
EP-3580300-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP 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 ALDH1A1 80/4885L3MBTL1 3665/4885KDM4E 4619/4885

“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.