SCHEMBL17050898

SCHEMBL17050898

c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)nc4ccccc34)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.37
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 1/20 0.35
ALOX5 P09917 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PRKDC P78527 2/20 0.32
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAP3K8 P41279 1/20 0.30
MAPT P10636 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
SCHEMBL15614213 0.99 ALOX5 (0.37) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL15614119 0.97 EGFR (0.39) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL14979045 0.94 EGFR (0.41) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL24450488 0.94 EGFR (0.43) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL15614112 0.92 EGFR (0.37) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL15614048 0.91 EGFR (0.40) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL15614092 0.91 EGFR (0.40) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL15614070 0.91 EGFR (0.40) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL15614109 0.90 EGFR (0.35) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL15614095 0.89 PRKDC (0.39) EGFRKDM4EALDH1A1HPGDLMNA

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-20150249224-A1 NOVEL COMBINATION OF A HOST COMPOUND AND A DOPANT COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-09-03 US disclosed
US-20150249224-A1 NOVEL COMBINATION OF A HOST COMPOUND AND A DOPANT COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-09-03 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-20150249224-A1 NOVEL COMBINATION OF A HOST COMPOUND AND A DOPANT COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME TYR, DDT, COMT EGFR 3475/4885KDM4E 2488/4885ALDH1A1 1353/4885

“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.