SCHEMBL20409653

SCHEMBL20409653

CC1(C)COC(c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)=N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
HRH3 Q9Y5N1 4/20 0.39
CYP2D6 P10635 1/20 0.39
DHFR P00374 1/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
IL2 P60568 1/20 0.36
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL20409644 0.90 KDM4E (0.46) KDM4EHRH3DHFRMAPTNPC1
SCHEMBL20409936 0.88 KDM4E (0.51) KDM4EHRH3CYP2D6MAPTLMNA
SCHEMBL20410438 0.86 KDM4E (0.50) KDM4EHRH3CYP2D6MAPTLMNA
SCHEMBL20409662 0.86 KDM4E (0.48) KDM4EHRH3CYP2D6DHFRMAPT
SCHEMBL20410532 0.84 KDM4E (0.43) KDM4EHRH3CYP2D6MAPTRAB9A
SCHEMBL20409671 0.84 KDM4E (0.65) KDM4EHRH3DHFRMAPTNPC1
SCHEMBL20409607 0.83 KDM4E (0.46) KDM4EHRH3CYP2D6MAPTLMNA
SCHEMBL20409679 0.81 KDM4E (0.45) KDM4EHRH3CYP2D6MAPTLMNA
SCHEMBL20410442 0.81 KDM4E (0.47) KDM4EHRH3CYP2D6MAPTLMNA
SCHEMBL20409655 0.81 DHFR (0.39) KDM4EDHFRMAPTNPC1RAB9A

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 776/4885HRH3 1096/4885CYP2D6 2185/4885
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 776/4885HRH3 1096/4885CYP2D6 2185/4885

“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.