SCHEMBL16449653

SCHEMBL16449653

c1ccc(-c2nc(-c3cccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)c3)nc(-c3cccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)c3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HSP90AA1 P07900 2/20 0.43
FAAH O00519 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
MGLL Q99685 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38

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
SCHEMBL13833020 1.00 ALDH1A1 (0.43) ALDH1A1HSP90AA1FAAHPKMHTT
SCHEMBL16449667 0.98 ALDH1A1 (0.44) ALDH1A1HSP90AA1FAAHPKMHTT
SCHEMBL17879371 0.98 ALDH1A1 (0.44) ALDH1A1HSP90AA1FAAHPKMHTT
SCHEMBL29183656 0.92 ALDH1A1 (0.40) ALDH1A1HSP90AA1FAAHPKMHTT
SCHEMBL30804929 0.92 ALDH1A1 (0.40) ALDH1A1HSP90AA1FAAHPKMHTT
SCHEMBL19038677 0.88 L3MBTL1 (0.41) ALDH1A1HSP90AA1FAAHPKMHTT
SCHEMBL20149978 0.87 ALDH1A1 (0.49) ALDH1A1HSP90AA1FAAHPKMHTT
SCHEMBL20964172 0.87 ALDH1A1 (0.49) ALDH1A1HSP90AA1FAAHPKMHTT
SCHEMBL16271062 0.87 L3MBTL1 (0.47) ALDH1A1FAAHHTTATMMGLL
SCHEMBL16449665 0.87 L3MBTL1 (0.47) ALDH1A1FAAHHTTATMMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210074927-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2021-03-11 US disclosed
US-10862047-B2 Organic electroluminescent device KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2020-12-08 US disclosed
US-10658596-B2 2020-05-19 US disclosed
US-10600983-B2 Organic electroluminescent device comprising delayed fluorescent materials KYULUX, INC. (JP) 2020-03-24 US disclosed
US-10559757-B2 Host material for delayed fluorescent materials, organic light-emitting device and compound KYULUX, INC. (JP) 2020-02-11 US disclosed
US-20170288146-A1 HOST MATERIAL FOR DELAYED FLUORESCENT MATERIALS, ORGANIC LIGHT-EMITTING DEVICE AND COMPOUND KYULUX, INC. (JP) 2017-10-05 US disclosed
US-20170288146-A1 HOST MATERIAL FOR DELAYED FLUORESCENT MATERIALS, ORGANIC LIGHT-EMITTING DEVICE AND COMPOUND KYULUX, INC. (JP) 2017-10-05 US disclosed
US-20170213974-A1 ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND KYULUX, INC. (JP) 2017-07-27 US disclosed
US-20170213974-A1 ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND KYULUX, INC. (JP) 2017-07-27 US disclosed
US-20170163010-A1 ORGANIC LIGHT-EMITTING ELEMENT KYUSHU UNIVERSITY NATIONAL UNIVERSITY CORPORATION (JP) 2017-06-08 US disclosed
US-20170163010-A1 ORGANIC LIGHT-EMITTING ELEMENT KYUSHU UNIVERSITY NATIONAL UNIVERSITY CORPORATION (JP) 2017-06-08 US disclosed
US-9660199-B2 Compound, light-emitting material, and organic light-emitting device KYULUX, INC. (JP) 2017-05-23 US disclosed
US-9660199-B2 Compound, light-emitting material, and organic light-emitting device KYULUX, INC. (JP) 2017-05-23 US disclosed
US-20160329512-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2016-11-10 US disclosed
US-20160329512-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2016-11-10 US disclosed
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 US disclosed
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 US disclosed
US-20150041784-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND ORGANIC LIGHT-EMITTING DEVICE KYULUX, INC. (JP) 2015-02-12 US disclosed
US-20150041784-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND ORGANIC LIGHT-EMITTING DEVICE KYULUX, INC. (JP) 2015-02-12 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 (3 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-20170288146-A1 HOST MATERIAL FOR DELAYED FLUORESCENT MATERIALS, ORGANIC LIGHT-EMITTING DEVICE AND COMPOUND TERB1, TERT, TCOF1 ALDH1A1 2419/4885HSP90AA1 4293/4885FAAH 1100/4885
US-10559757-B2 Host material for delayed fluorescent materials, organic light-emitting device and compound TERB1, TERT, TCOF1 ALDH1A1 2419/4885HSP90AA1 4293/4885FAAH 1100/4885
US-20170213974-A1 ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND CRY1, CRY2, CYBA ALDH1A1 269/4885HSP90AA1 3223/4885FAAH 2788/4885

“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.