SCHEMBL20409673

SCHEMBL20409673

CC1(C)N=C(c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)n2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
DHFR P00374 1/20 0.38
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
ALOX15 P16050 8/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
NPC1 O15118 2/20 0.33
TP53 P04637 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN11 Q06124 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 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
SCHEMBL24444377 0.91 KDM4E (0.45) KDM4E
SCHEMBL20409655 0.83 DHFR (0.39) KDM4EDHFRENPP3ENPP1ALOX15
SCHEMBL20409665 0.82 ENPP1 (0.36) KDM4EDHFRENPP3ENPP1ALOX15
SCHEMBL20409645 0.81 DHFR (0.37) KDM4EDHFRENPP3ENPP1ALOX15
SCHEMBL20409671 0.81 KDM4E (0.65) KDM4EDHFRENPP3ENPP1ALOX15
SCHEMBL20409672 0.79 KDM4E (0.35) KDM4EDHFRENPP3ENPP1ALOX15
SCHEMBL20409675 0.74 DHFR (0.35) KDM4EDHFRENPP3ENPP1ALOX15
SCHEMBL20410299 0.74 KDM4E (0.40) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL20410876 0.73 KDM4E (0.47) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL20409682 0.71 ACHE (0.33) KDM4EMAPTMAPK1TDP1L3MBTL1

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 KDM4E 776/4885DHFR 3187/4885ENPP3 3900/4885
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 KDM4E 776/4885DHFR 3187/4885ENPP3 3900/4885

“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.