SCHEMBL21089446

SCHEMBL21089446

CCCCc1cc(-c2cccc3c2sc2ccccc23)c2nc(-c3ccccc3O)sc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
PARP14 Q460N5 1/20 0.39
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
PTPN1 P18031 1/20 0.34
POLB P06746 3/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BLM P54132 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SREBF2 Q12772 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
APP P05067 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL21089447 0.89 L3MBTL1 (0.40) ALOX5PARP14PDCD1CD274POLB
SCHEMBL21089311 0.88 PDCD1 (0.36) PDCD1CD274POLBBLMRXFP1
SCHEMBL21089457 0.82 ALOX5 (0.42) ALOX5PDCD1CD274PTPN1NPC1
SCHEMBL21089392 0.81 TRPV1 (0.43) PDCD1CD274POLBL3MBTL1BLM
SCHEMBL21089293 0.81 PDCD1 (0.42) PDCD1CD274POLBL3MBTL1SREBF2
SCHEMBL21089439 0.79 PDCD1 (0.39) PDCD1CD274PTPN1POLBNPC1
SCHEMBL21089308 0.79 PDCD1 (0.38) ALOX5PDCD1CD274POLBL3MBTL1
SCHEMBL21089444 0.78 PDCD1 (0.37) ALOX5PDCD1CD274PTPN1POLB
SCHEMBL21089306 0.78 PDCD1 (0.37) PDCD1CD274POLBSREBF2NPC1
SCHEMBL21089668 0.76 KDM4E (0.40) PDCD1CD274L3MBTL1NPC1RAB9A

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-11569461-B2 Organic electroluminescence device and organometallic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-31 US disclosed
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LAPTO CO., LTD. (KR) 2019-06-13 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 (2 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-11569461-B2 Organic electroluminescence device and organometallic compound for organic electroluminescence device CHRM1, L1CAM, CHRM4 ALOX5 4229/4885PARP14 622/4885PDCD1 1149/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 ALOX5 4229/4885PARP14 622/4885PDCD1 1149/4885

“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.