SCHEMBL22016733

SCHEMBL22016733

N#Cc1cccc(-c2c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.41
MAP4K4 O95819 1/20 0.40
PTPN5 P54829 1/20 0.40
ADORA2A P29274 1/20 0.40
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
CYP1A2 P05177 7/20 0.38
CYP3A4 P08684 6/20 0.38
ALDH1A1 P00352 5/20 0.38
CLK4 Q9HAZ1 5/20 0.38
LMNA P02545 4/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP2D6 P10635 3/20 0.38
TP53 P04637 3/20 0.38

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
SCHEMBL22016728 1.00 ALDH1A3 (0.41) ALDH1A3MAP4K4PTPN5ADORA2AXDH
SCHEMBL24510083 0.94 KDM4E (0.43) ALDH1A3MAP4K4PTPN5ADORA2AXDH
SCHEMBL24510082 0.94 KDM4E (0.43) ALDH1A3MAP4K4PTPN5ADORA2AXDH
SCHEMBL22016732 0.94 TSPO (0.38) ALDH1A3MAP4K4PTPN5ADORA2AGABRA1
SCHEMBL22017000 0.94 TSPO (0.38) ALDH1A3MAP4K4PTPN5ADORA2AGABRA1
SCHEMBL22457899 0.93 KDM4E (0.42) ALDH1A3MAP4K4PTPN5ADORA2AXDH
SCHEMBL22454887 0.91 PTGER4 (0.39) ALDH1A3MAP4K4GABRA1GABRG2GABRB3
SCHEMBL22017018 0.91 PTGER4 (0.39) ALDH1A3MAP4K4GABRA1GABRG2GABRB3
SCHEMBL22016998 0.91 PTGER4 (0.39) ALDH1A3MAP4K4GABRA1GABRG2GABRB3
SCHEMBL22454880 0.91 PTGER4 (0.39) ALDH1A3MAP4K4GABRA1GABRG2GABRB3

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-20200161562-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-05-21 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-20200161562-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE EML4, CELF2, L1CAM ALDH1A3 868/4885MAP4K4 2570/4885PTPN5 4631/4885

“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.