SCHEMBL21089293

SCHEMBL21089293

CCCCc1cc(-c2cccc(-c3ccccc3)c2)c2nc(-c3ccccc3O)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
PSMB5 P28074 1/20 0.38
TRPV1 Q8NER1 1/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
APP P05067 1/20 0.34
SREBF2 Q12772 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL21089439 0.96 PDCD1 (0.39) PDCD1CD274PSMB5TRPV1RAB9A
SCHEMBL21089444 0.89 PDCD1 (0.37) PDCD1CD274PSMB5TRPV1RAB9A
SCHEMBL21089294 0.88 PDCD1 (0.40) PDCD1CD274PSMB5RAB9ASMN1; SMN2
SCHEMBL21089308 0.85 PDCD1 (0.38) PDCD1CD274PSMB5RAB9ASMN1; SMN2
SCHEMBL21089306 0.84 PDCD1 (0.37) PDCD1CD274PSMB5RAB9ASMN1; SMN2
SCHEMBL21089311 0.84 PDCD1 (0.36) PDCD1CD274TRPV1RAB9ASMN1; SMN2
SCHEMBL21089489 0.84 TSHR (0.40) PDCD1CD274PSMB5TRPM8APP
SCHEMBL21089189 0.83 TSHR (0.39) PDCD1CD274PSMB5TRPM8APP
SCHEMBL21089671 0.82 RAB9A (0.40) PDCD1CD274RAB9ASMN1; SMN2CASP3
SCHEMBL21089392 0.82 TRPV1 (0.43) PDCD1CD274TRPV1RAB9ASMN1; SMN2

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.