SCHEMBL17040746

SCHEMBL17040746

Brc1ccc(-c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
IDO2 Q6ZQW0 1/20 0.33
PARP1 P09874 1/20 0.33
MAPK14 Q16539 1/20 0.33
ATM Q13315 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GRM2 Q14416 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL15791590 0.94 ALDH1A1 (0.40) ALDH1A1MAPK1RXRARXRBIDO1
SCHEMBL17041546 0.93 PARP1 (0.35) ALDH1A1RXRARXRBIDO1TDO2
SCHEMBL17041132 0.92 ALDH1A1 (0.41) ALDH1A1MAPK1RXRARXRBIDO1
SCHEMBL21147247 0.92 ALDH1A1 (0.46) ALDH1A1MAPK1RXRARXRBIDO1
SCHEMBL17041129 0.91 ALDH1A1 (0.38) ALDH1A1MAPK1RXRARXRBIDO1
SCHEMBL17040726 0.91 ALDH1A1 (0.40) ALDH1A1MAPK1RXRARXRBPARP1
SCHEMBL17041573 0.90 ALDH1A1 (0.38) ALDH1A1MAPK1RXRARXRBMAPK14
SCHEMBL17056787 0.90 ALDH1A1 (0.44) ALDH1A1MAPK1RXRARXRBMAPK14
SCHEMBL17041130 0.90 ALDH1A1 (0.37) ALDH1A1MAPK1RXRARXRBIDO1
SCHEMBL15502536 0.89 ATM (0.40) ALDH1A1RXRARXRBMAPK14ATM

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-20170062728-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-03-02 US disclosed
US-20170062728-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-03-02 US disclosed
WO-2015126090-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2015-08-27 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-20170062728-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF GPX1, OR51E2, PIEZO1 ALDH1A1 561/4885MAPK1 375/4885RXRA 3113/4885

“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.