SCHEMBL21453322

SCHEMBL21453322

CC(C)(C)Cc1ccc2c(c1)c1ncccc1n2-c1ccncc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.34
MAPK14 Q16539 5/20 0.33
NPY5R Q15761 2/20 0.33
PDE10A Q9Y233 2/20 0.32
REN P00797 1/20 0.31
NAMPT P43490 1/20 0.30
NPC1 O15118 1/20 0.30
HSP90AA1 P07900 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL21453326 0.88 CYP1A2 (0.41) RORCMAPK14PDE10A
SCHEMBL21453320 0.88 RORC (0.33) RORCPDE10A
SCHEMBL21453324 0.86 RORC (0.36) RORCNPC1L3MBTL1
SCHEMBL21453328 0.85 PTGDR2 (0.39) RORCMAPK14
SCHEMBL21453321 0.83 FFAR4 (0.36) RORCMAPK14PDE10AL3MBTL1
SCHEMBL26998656 0.74 KDM4E (0.46) RORCL3MBTL1
SCHEMBL21453318 0.74 CYP1A2 (0.41) MAPK14REN
SCHEMBL19412586 0.74 MAPK14 (0.41) MAPK14PDE10ANPC1L3MBTL1
SCHEMBL22177168 0.73 KDM4E (0.55) L3MBTL1
SCHEMBL17461411 0.71 ESR1 (0.36)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-10 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 (1 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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLCO2A1, SLCO1A2 RORC 3456/4885MAPK14 2635/4885NPY5R 3304/4885

“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.