SCHEMBL21756047

SCHEMBL21756047

c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)sc3cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c34)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
HCRTR1 O43613 1/20 0.33
PRKDC P78527 2/20 0.33
LIMK1 P53667 1/20 0.32
AHR P35869 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 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
SCHEMBL21756121 0.96 LIMK1 (0.34) ALOX5LIMK1ALDH1A1MEN1KMT2A
SCHEMBL22760673 0.95 HCRTR1 (0.36) ALOX5HCRTR1PRKDCLIMK1AHR
SCHEMBL25646015 0.95 HCRTR1 (0.35) ALOX5HCRTR1PRKDCLIMK1AHR
SCHEMBL22240539 0.94 PLA2G2A (0.35) ALOX5HCRTR1PRKDCLIMK1AHR
SCHEMBL25645850 0.94 HCRTR1 (0.34) ALOX5HCRTR1PRKDCLIMK1AHR
SCHEMBL24264150 0.93 PRKDC (0.36) ALOX5HCRTR1PRKDCLIMK1ALDH1A1
SCHEMBL21755986 0.93 LIMK1 (0.32) ALOX5LIMK1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL24264153 0.93 PRKDC (0.35) ALOX5HCRTR1PRKDCLIMK1AHR
SCHEMBL24264149 0.93 PRKDC (0.35) ALOX5HCRTR1PRKDCLIMK1AHR
SCHEMBL26194282 0.93 ALOX5 (0.34) ALOX5HCRTR1PRKDCLIMK1AHR

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-20210280800-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2021-09-09 US disclosed
WO-2020040571-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-02-27 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-20210280800-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, AOX1, CYBA ALOX5 497/4885HCRTR1 1323/4885PRKDC 4094/4885

“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.