SCHEMBL22196113

SCHEMBL22196113

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4cc(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)ccc45)n3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.36
MAPT P10636 4/20 0.33
ALOX5 P09917 2/20 0.33
ESR2 Q92731 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
LIMK1 P53667 1/20 0.32
F9 P00740 1/20 0.31
TSHR P16473 2/20 0.31
PIK3CA P42336 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HPGD P15428 1/20 0.31
SLC9A1 P19634 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
SCHEMBL22329444 1.00 PRKDC (0.36) PRKDCMAPTALOX5ESR2KDM4E
SCHEMBL22196110 1.00 PRKDC (0.36) PRKDCMAPTALOX5ESR2KDM4E
SCHEMBL22195812 0.99 PRKDC (0.36) PRKDCMAPTALOX5ESR2KDM4E
SCHEMBL22195811 0.99 PRKDC (0.36) PRKDCMAPTALOX5ESR2KDM4E
SCHEMBL22195583 0.98 PRKDC (0.35) PRKDCMAPTALOX5ESR2KDM4E
SCHEMBL22195582 0.98 PRKDC (0.35) PRKDCMAPTALOX5ESR2KDM4E
SCHEMBL22195443 0.98 PRKDC (0.36) PRKDCMAPTALOX5ESR2KDM4E
SCHEMBL22195838 0.98 PRKDC (0.36) PRKDCMAPTALOX5ESR2KDM4E
SCHEMBL22329377 0.98 PRKDC (0.36) PRKDCMAPTALOX5ESR2KDM4E
SCHEMBL22195501 0.98 PRKDC (0.36) PRKDCMAPTALOX5ESR2KDM4E

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-20210230182-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2021-07-29 US disclosed
WO-2020141949-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-07-09 WO 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-20210230182-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CRY2, CYP1A1 PRKDC 4560/4885MAPT 660/4885ALOX5 629/4885

“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.