SCHEMBL21089306

SCHEMBL21089306

CCCCc1cc(-c2ccc([Si](C)(C)C)cc2)c2nc(-c3ccccc3O)sc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
PSMB5 P28074 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.34
APP P05067 1/20 0.34
GUSB P08236 1/20 0.34
SREBF2 Q12772 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GCGR P47871 1/20 0.33
HTR2B P41595 1/20 0.33
BRS3 P32247 1/20 0.32
LMNA P02545 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
SCHEMBL21089308 0.89 PDCD1 (0.38) PDCD1CD274PSMB5TRPM8APP
SCHEMBL21089444 0.88 PDCD1 (0.37) PDCD1CD274PSMB5TRPM8APP
SCHEMBL21089189 0.86 TSHR (0.39) PDCD1CD274PSMB5TRPM8APP
SCHEMBL21089489 0.85 TSHR (0.40) PDCD1CD274PSMB5TRPM8APP
SCHEMBL21089439 0.85 PDCD1 (0.39) PDCD1CD274PSMB5TRPM8APP
SCHEMBL21089293 0.84 PDCD1 (0.42) PDCD1CD274PSMB5TRPM8APP
SCHEMBL21089311 0.81 PDCD1 (0.36) PDCD1CD274TRPM8APPSREBF2
SCHEMBL21089392 0.79 TRPV1 (0.43) PDCD1CD274SREBF2NPC1RAB9A
SCHEMBL21089446 0.78 ALOX5 (0.41) PDCD1CD274TRPM8APPSREBF2
SCHEMBL21089457 0.78 ALOX5 (0.42) PDCD1CD274NPC1SMN1; SMN2KDM4E

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 PDCD1 1149/4885CD274 119/4885PSMB5 4459/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 PDCD1 1149/4885CD274 119/4885PSMB5 4459/4885

“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.