SCHEMBL19862788

SCHEMBL19862788

CC(C)(C)c1nc(-c2ccc3oc4ccccc4c3c2)c2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHEK2 O96017 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
ELANE P08246 1/20 0.38
ADORA2A P29274 5/20 0.38
AHR P35869 1/20 0.36
NUDT1 P36639 3/20 0.36

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
SCHEMBL23473699 0.92 AHR (0.40) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL19866545 0.91 HSP90AA1 (0.39) HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E
SCHEMBL23183913 0.88 HSP90AA1 (0.39) HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E
SCHEMBL18659329 0.83 KDM4E (0.42) HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E
SCHEMBL22113578 0.82 ADORA2A (0.40) ALDH1A1MAPTKDM4ENPC1MEN1
SCHEMBL25878017 0.81 MAPT (0.45) HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E
SCHEMBL25817407 0.81 MAPT (0.45) HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E
SCHEMBL23183914 0.81 MEN1 (0.41) HSP90AA1HSP90AB1ALDH1A1MAPTMEN1
SCHEMBL23473778 0.81 HSP90AA1 (0.41) HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E
SCHEMBL16919536 0.81 NPC1 (0.41) HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-11588115-B2 Nitrogen-containing compound, organic electroluminescent device and electronic apparatus SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-02-21 US disclosed
US-11081650-B2 Spiro compound and organic light-emitting element comprising same LG CHEM, LTD. 2021-08-03 US disclosed
US-11050026-B2 Spiro compound and organic light-emitting element comprising same LG CHEM, LTD. 2021-06-29 US disclosed
US-10981876-B2 Spiro compound and organic light emitting element comprising same LG CHEM, LTD. 2021-04-20 US disclosed
US-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-06-21 US disclosed
US-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-06-21 US disclosed
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-22 US disclosed
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-22 US disclosed
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-15 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 (8 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-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS ACHE, OR51E2, L1CAM HSP90AA1 4753/4885HSP90AB1 4840/4885ALDH1A1 213/4885
US-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG HSP90AA1 3076/4885HSP90AB1 3766/4885ALDH1A1 83/4885
US-11081650-B2 Spiro compound and organic light-emitting element comprising same RER1, NR2E3, RIF1 HSP90AA1 3364/4885HSP90AB1 3943/4885ALDH1A1 227/4885
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, NR2E3 HSP90AA1 4832/4885HSP90AB1 4872/4885ALDH1A1 242/4885
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG HSP90AA1 3076/4885HSP90AB1 3766/4885ALDH1A1 83/4885
US-11588115-B2 Nitrogen-containing compound, organic electroluminescent device and electronic apparatus NCL, NCLN, NNMT HSP90AA1 4381/4885HSP90AB1 4683/4885ALDH1A1 3230/4885
US-10981876-B2 Spiro compound and organic light emitting element comprising same RER1, RIF1, CRY1 HSP90AA1 2313/4885HSP90AB1 2971/4885ALDH1A1 40/4885
US-11050026-B2 Spiro compound and organic light-emitting element comprising same NR2E3, CRY1, ERG HSP90AA1 3076/4885HSP90AB1 3766/4885ALDH1A1 83/4885

“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.