SCHEMBL17448902

SCHEMBL17448902

c1ccc(B(c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(B(c7ccccc7)c7ccccc7)c6)c5c43)cc2)c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(B(c7ccccc7)c7ccccc7)c6)c5c43)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
MAPK8 P45983 2/20 0.35
MAPK9 P45984 1/20 0.34
PTPN1 P18031 2/20 0.33
KMT2A Q03164 3/20 0.32
IL1R1 P14778 1/20 0.32
FOLH1 Q04609 1/20 0.32
KDR P35968 1/20 0.32
PGR P06401 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
DUSP3 P51452 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
FTO Q9C0B1 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 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
SCHEMBL16978835 0.97 L3MBTL1 (0.50) L3MBTL1KDM4EATMMAPK8MAPK9
SCHEMBL17448905 0.94 L3MBTL1 (0.46) L3MBTL1KDM4EATMMAPK8MAPK9
SCHEMBL16978841 0.93 KDM4E (0.47) L3MBTL1KDM4EATMMAPK8MAPK9
SCHEMBL17448875 0.93 L3MBTL1 (0.55) L3MBTL1KDM4EATMMAPK8MAPK9
SCHEMBL17448911 0.92 L3MBTL1 (0.45) L3MBTL1KDM4EATMMAPK8MAPK9
SCHEMBL16977040 0.92 L3MBTL1 (0.49) L3MBTL1KDM4EATMMAPK8MAPK9
SCHEMBL16978856 0.91 KDM4E (0.47) L3MBTL1KDM4EATMMAPK8MAPK9
SCHEMBL16977005 0.91 KDM4E (0.47) L3MBTL1KDM4EATMMAPK8MAPK9
SCHEMBL17448876 0.90 KDM4E (0.44) L3MBTL1KDM4EATMMAPK8MAPK9
SCHEMBL16978850 0.90 L3MBTL1 (0.49) L3MBTL1KDM4EATMMAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9716238-B2 Boron compound for organic electroluminescent elements, and organic electroluminescent element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2017-07-25 US disclosed
US-9716238-B2 Boron compound for organic electroluminescent elements, and organic electroluminescent element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2017-07-25 US disclosed
US-20160020397-A1 BORON COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2016-01-21 US disclosed
US-20160020397-A1 BORON COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2016-01-21 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-20160020397-A1 BORON COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT EBPL, CDYL, L3MBTL3 L3MBTL1 10/4885KDM4E 567/4885ATM 3493/4885

“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.