SCHEMBL17562178

SCHEMBL17562178

c1ccc2cc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ATM Q13315 1/20 0.36
CHEK2 O96017 1/20 0.35
UTRN P46939 1/20 0.35
AHR P35869 1/20 0.35
PLA2G2A P14555 2/20 0.34
PLA2G4A P47712 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.34

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
SCHEMBL17562191 0.99 KDM4E (0.37) KDM4ENPC1MAPTHPGDRAB9A
SCHEMBL19037063 0.99 KDM4E (0.37) KDM4ENPC1MAPTHPGDRAB9A
SCHEMBL22017425 0.97 KDM4E (0.37) KDM4ENPC1MAPTHPGDRAB9A
SCHEMBL17562225 0.96 PLA2G2A (0.38) KDM4ENPC1MAPTHPGDRAB9A
SCHEMBL20321504 0.96 KDM4E (0.35) KDM4ENPC1MAPTHPGDRAB9A
SCHEMBL18779521 0.96 KDM4E (0.43) KDM4ENPC1MAPTHPGDRAB9A
SCHEMBL18779556 0.96 KDM4E (0.43) KDM4ENPC1MAPTHPGDRAB9A
SCHEMBL24765537 0.95 CASP3 (0.36) KDM4ENPC1MAPTHPGDRAB9A
SCHEMBL10331658 0.95 KDM4E (0.42) KDM4ENPC1MAPTHPGDRAB9A
SCHEMBL22672324 0.95 KDM4E (0.36) KDM4ENPC1MAPTHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210351358-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2021-11-11 US disclosed
US-10622570-B2 Organic electroluminescent element NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2020-04-14 US disclosed
US-20190088883-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2019-03-21 US disclosed
US-20190058132-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-02-21 US disclosed
EP-3439058-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Nippon Steel & Sumikin Chemical Co., Ltd. (JP) 2019-02-06 EP disclosed
US-9917262-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-13 US disclosed
US-9917262-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-13 US disclosed
US-20170256722-A1 A HOLE TRANSPORT MATERIAL AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-09-07 US disclosed
US-20170256722-A1 A HOLE TRANSPORT MATERIAL AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-09-07 US disclosed
US-20160133853-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LT.D (KR) 2016-05-12 US disclosed
US-20160133853-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LT.D (KR) 2016-05-12 US disclosed
WO-2016036207-A1 A HOLE TRANSPORT MATERIAL AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-03-10 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 (2 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-10622570-B2 Organic electroluminescent element NR2E3, ESR1, NCOR2 KDM4E 406/4885NPC1 2748/4885MAPT 4309/4885
US-20170256722-A1 A HOLE TRANSPORT MATERIAL AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME HTT, VDAC1, VAPA KDM4E 2847/4885NPC1 150/4885MAPT 482/4885

“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.