SCHEMBL22859710

SCHEMBL22859710

C=C/C=C\c1c(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2n1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CDK9 P50750 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ DYRK2 Q92630 1/20 0.32
▸ AHR P35869 1/20 0.31
▸ PLA2G2A P14555 2/20 0.31
▸ PLA2G4A P47712 2/20 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
SCHEMBL19389281 0.75 PLA2G10 (0.31) PLA2G2APLA2G4APLA2G10
SCHEMBL17716012 0.75 GPR3 (0.50) MAOAHSP90AA1HSP90AB1SMN1; SMN2KDM4E
SCHEMBL25765635 0.75 MEN1 (0.38) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL22989918 0.73 PLA2G2A (0.36) MAOAHSP90AA1HSP90AB1SMN1; SMN2KDM4E
SCHEMBL20071932 0.71 L3MBTL1 (0.36) MAOAHSP90AA1HSP90AB1SMN1; SMN2KDM4E
SCHEMBL22926738 0.71 MAOA (0.39) MAOASMN1; SMN2KDM4EMEN1NPC1
SCHEMBL22926734 0.71 MAOA (0.36) MAOASMN1; SMN2KDM4EMEN1NPC1
SCHEMBL24307736 0.70 AHR (0.31) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL20071931 0.70 HSP90AA1 (0.37) MAOAHSP90AA1HSP90AB1SMN1; SMN2KDM4E
SCHEMBL23131539 0.70 PLA2G2A (0.35) MAOAHSP90AA1HSP90AB1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210005821-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-01-07 — — 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-20210005821-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM MAOA 582/4885HSP90AA1 4019/4885HSP90AB1 4428/4885

“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.

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