SCHEMBL18216993

SCHEMBL18216993

c1ccc(Oc2ccc(N(c3ccccc3)c3ccc(-c4nc5nc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c(-c6ccc(N(c7ccccc7)c7ccc(Oc8ccccc8)cc7)cc6)nc5nc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
ERBB2 P04626 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
TNK2 Q07912 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
SCN9A Q15858 3/20 0.40
DHODH Q02127 1/20 0.40
HPGD P15428 1/20 0.40
LTA4H P09960 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL17879112 0.88 TDP1 (0.47) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL18216992 0.86 TDP1 (0.45) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL17879117 0.86 TDP1 (0.45) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL17879120 0.86 TDP1 (0.45) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL17879114 0.84 TDP1 (0.48) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL17879138 0.82 ADK (0.43) NPC1RAB9AALDH1A1LMNAMEN1
SCHEMBL18904083 0.82 ALDH1A1 (0.48) NPC1RAB9AALDH1A1MEN1MAPT
SCHEMBL8944000 0.82 ALDH1A1 (0.48) NPC1RAB9AALDH1A1MEN1MAPT
SCHEMBL18904078 0.82 ALDH1A1 (0.48) NPC1RAB9AALDH1A1MEN1MAPT
SCHEMBL18904055 0.82 ALDH1A1 (0.48) NPC1RAB9AALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 NPC1 1031/4885RAB9A 3268/4885ALDH1A1 2419/4885
US-10559757-B2 Host material for delayed fluorescent materials, organic light-emitting device and compound TERB1, TERT, TCOF1 NPC1 1031/4885RAB9A 3268/4885ALDH1A1 2419/4885
US-20170213974-A1 ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND CRY1, CRY2, CYBA NPC1 3146/4885RAB9A 4082/4885ALDH1A1 269/4885

“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.