SCHEMBL22247983

SCHEMBL22247983

c1ccc(-c2nc(-c3ccccc3-c3cccc(-c4cccc5c4sc4ccccc45)c3)nc(-c3cccc4oc5c(-c6ccccc6)cccc5c34)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.42
PRKDC P78527 9/20 0.38
PIK3CD O00329 3/20 0.37
PIK3CB P42338 3/20 0.37
PIK3CA P42336 2/20 0.36
PIK3CG P48736 2/20 0.36
BRD4 O60885 1/20 0.36
MTOR P42345 1/20 0.36
KCNH2 Q12809 1/20 0.36
BRDT Q58F21 1/20 0.36
LIMK1 P53667 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
GGPS1 O95749 1/20 0.31
PARP14 Q460N5 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
SCHEMBL25459032 0.95 ALOX5 (0.46) ALOX5PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL22248748 0.94 ALOX5 (0.43) ALOX5PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL21425009 0.94 ALOX5 (0.43) ALOX5PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL25459120 0.93 ALOX5 (0.46) ALOX5PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL25627804 0.93 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL25459029 0.93 ALOX5 (0.42) ALOX5PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL25459124 0.93 ALOX5 (0.44) ALOX5PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL21425445 0.93 ALOX5 (0.42) ALOX5PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL21425386 0.93 ALOX5 (0.42) ALOX5PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL21425109 0.93 PRKDC (0.41) ALOX5PRKDCPIK3CDPIK3CBPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691966-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-07-04 US disclosed
US-11691966-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-07-04 US disclosed
US-20210340103-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC APPARATUS THEREOF DUK SAN NEOLUX CO., LTD (KR) 2021-11-04 US disclosed
US-20210184129-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2021-06-17 US disclosed
US-20210028370-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREFOR DUK SAN NEOLUX CO., LTD. (KR) 2021-01-28 US disclosed
US-20200231581-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2020-07-23 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 (5 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-11691966-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof PIEZO1, OR51E2, OR10J3 ALOX5 953/4885PRKDC 3746/4885PIK3CD 3443/4885
US-20200231581-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF PIEZO1, OR51E2, OR10J3 ALOX5 953/4885PRKDC 3746/4885PIK3CD 3443/4885
US-20210028370-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREFOR OR51E2, WEE1, SLC39A11 ALOX5 936/4885PRKDC 3848/4885PIK3CD 3658/4885
US-20210340103-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC APPARATUS THEREOF OR51E2, SLC39A11, WEE1 ALOX5 969/4885PRKDC 3750/4885PIK3CD 4269/4885
US-20210184129-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREOF OR51E2, SLC39A11, WEE1 ALOX5 784/4885PRKDC 4244/4885PIK3CD 4144/4885

“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.