SCHEMBL21089327

SCHEMBL21089327

CCCCc1cc(-c2ccccc2)c2nc(-c3ccccc3/N=C/c3cc(-c4ccccc4)ccc3O)sc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
PSMB5 P28074 1/20 0.36
ALDH1A1 P00352 4/20 0.33
GAA P10253 3/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TRPV1 Q8NER1 1/20 0.32
MGLL Q99685 1/20 0.32
MGAM O43451 2/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL21089654 0.94 PDCD1 (0.35) PDCD1CD274PSMB5ALDH1A1GAA
SCHEMBL21089508 0.94 PDCD1 (0.33) PDCD1CD274PSMB5HSD17B10
SCHEMBL24941926 0.85 PTGS1 (0.37) PDCD1CD274ALDH1A1GAAMAPT
SCHEMBL21089520 0.81 MEN1 (0.35) ALDH1A1GAAMAPTKDM4EUSP2
SCHEMBL24942492 0.81 APP (0.36) ALDH1A1GAAMAPTKDM4ENPC1
SCHEMBL21089293 0.79 PDCD1 (0.42) PDCD1CD274PSMB5MAPTNPC1
SCHEMBL21089444 0.78 PDCD1 (0.37) PDCD1CD274PSMB5NPC1RAB9A
SCHEMBL21089518 0.78 PDCD1 (0.36) PDCD1CD274PSMB5MAPT
SCHEMBL21089439 0.77 PDCD1 (0.39) PDCD1CD274PSMB5MAPTNPC1
SCHEMBL21089300 0.77 ALDH1A1 (0.36) PDCD1CD274ALDH1A1GAAMAPT

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.