SCHEMBL21089458

SCHEMBL21089458

CCCCc1cc(-c2cccc3c2oc2ccccc23)c2nc(-c3ccccc3N)sc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 2/20 0.35
TLR7 Q9NYK1 2/20 0.34
GGPS1 O95749 1/20 0.33
PRKDC P78527 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 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
SCHEMBL21089457 0.90 ALOX5 (0.42) MAPTNPC1KDM4EMEN1KMT2A
SCHEMBL21089668 0.85 KDM4E (0.40) TLR8MAPTNPC1KDM4EMEN1
SCHEMBL21089207 0.83 ALOX5 (0.42) MAPTNPC1KDM4EMEN1KMT2A
SCHEMBL21089507 0.82 CNR1 (0.33) MEN1KMT2AALOX5
SCHEMBL21089212 0.82 MEN1 (0.40) MAPTNPC1KDM4EMEN1KMT2A
SCHEMBL21089447 0.82 L3MBTL1 (0.40) TLR8MAPTNPC1KDM4EMEN1
SCHEMBL21089443 0.81 ALDH1A1 (0.38) MAPTNPC1KDM4EMEN1KMT2A
SCHEMBL21089685 0.80 ALDH1A1 (0.38) MAPTNPC1KDM4EMEN1KMT2A
SCHEMBL21089467 0.79 ALOX5 (0.40) MAPTNPC1KDM4EMEN1KMT2A
SCHEMBL21089294 0.78 PDCD1 (0.40) TLR8MAPTNPC1KDM4EMEN1

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 TLR8 4067/4885MAPT 1819/4885NPC1 3577/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 TLR8 4067/4885MAPT 1819/4885NPC1 3577/4885

“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.