SCHEMBL20409682

SCHEMBL20409682

CC1(C)N=C(c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
HSP90AB1 P08238 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL20409941 0.83 ACHE (0.31) ACHEBRD4BRD2
SCHEMBL20409655 0.81 DHFR (0.39) KDM4EMAPTMAPK1TDP1L3MBTL1
SCHEMBL20409687 0.79 ESR1 (0.37) ACHEBRD4ESR1ESR2KDM4E
SCHEMBL20409898 0.79 TRIM58 (0.33) ACHEBRD4BRD2ESR1ESR2
SCHEMBL20409645 0.79 DHFR (0.37) KDM4EMAPTMAPK1TDP1L3MBTL1
SCHEMBL20409679 0.78 KDM4E (0.45) ACHEKDM4EMAPT
SCHEMBL19239665 0.77 HK2 (0.37) BRD4BRD2PTGS1PTGS2KDM4E
SCHEMBL20409681 0.75 ACHE (0.33) ACHE
SCHEMBL24444308 0.74 GP6 (0.35)
SCHEMBL20409965 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11342511-B2 Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same SK MATERIALS JNC CO., LTD. (KR) 2022-05-24 US disclosed
US-20180212156-A1 AZOLINE RING-CONTAINING COMPOUND, ELECTRON TRANSPORT/INJECTION LAYER MATERIAL CONTAINING THE SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME JNC CORPORATION (JP) 2018-07-26 US disclosed
US-20180212156-A1 AZOLINE RING-CONTAINING COMPOUND, ELECTRON TRANSPORT/INJECTION LAYER MATERIAL CONTAINING THE SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME JNC CORPORATION (JP) 2018-07-26 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-11342511-B2 Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same SLC7A5, EML4, ARNT ACHE 2790/4885BRD4 3140/4885BRD2 3427/4885
US-20180212156-A1 AZOLINE RING-CONTAINING COMPOUND, ELECTRON TRANSPORT/INJECTION LAYER MATERIAL CONTAINING THE SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME SLC7A5, EML4, ARNT ACHE 2790/4885BRD4 3140/4885BRD2 3427/4885

“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.