SCHEMBL19686345

SCHEMBL19686345

Cc1cn(-c2ccccc2)c(=O)c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 2/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
BRD4 O60885 4/20 0.40
TNKS2 Q9H2K2 1/20 0.39
MAOB P27338 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SCN2B O60939 1/20 0.36
SCN1A P35498 1/20 0.36
SCN1B Q07699 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
COMT P21964 2/20 0.36
NR4A2 P43354 2/20 0.34
FEN1 P39748 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
SCHEMBL19686043 0.95 ESR1 (0.40) ESRRAESR1ESR2BRD4TNKS2
SCHEMBL19686143 0.89 KDM4E (0.43) ESRRAESR1ESR2KDM4EALDH1A1
SCHEMBL19685731 0.87 BRD4 (0.52) BRD4TNKS2MAOBKDM4EALDH1A1
SCHEMBL19685826 0.84 SCN2B (0.39) TNKS2SCN2BSCN1ASCN1BSCN5A
SCHEMBL19686042 0.84 KDM4E (0.42) ESRRAESR1ESR2KDM4EALDH1A1
SCHEMBL19685739 0.83 CAPN1 (0.39) BRD4TNKS2MAOBSCN2BSCN1A
SCHEMBL19686344 0.83 ESR1 (0.36) ESRRAESR1ESR2KDM4EALDH1A1
SCHEMBL19686027 0.82 BRD4 (0.49) BRD4TNKS2MAOBKDM4EALDH1A1
SCHEMBL19686145 0.79 KDM4E (0.40) ESRRAESR1ESR2BRD4TNKS2
SCHEMBL11998167 0.77 L3MBTL1 (0.50) KDM4EALDH1A1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10714693-B2 Polycyclic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-07-14 US disclosed
US-20170352817-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2017-12-07 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 (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-10714693-B2 Polycyclic compound and organic electroluminescence device including the same CYC1, CCNA1, CYCS ESRRA 1108/4885ESR1 503/4885ESR2 808/4885
US-20170352817-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME CYC1, CCNA1, CYCS ESRRA 1108/4885ESR1 503/4885ESR2 808/4885

“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.