SCHEMBL19862774

SCHEMBL19862774

CC(C)(C)c1ccc2c(c1)Sc1ccccc1N2c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.44
NOX1 Q9Y5S8 3/20 0.42
ADRA2A P08913 3/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
DRD3 P35462 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
CHRM3 P20309 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOA P21397 1/20 0.41
BCHE P06276 4/20 0.37
TP53 P04637 3/20 0.37
CYP2D6 P10635 3/20 0.37
NPC1 O15118 2/20 0.37
CYP1A2 P05177 2/20 0.37

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
SCHEMBL19866517 0.88 HDAC6 (0.43) HDAC6NOX1ADRA2ASLC6A2SLC6A4
SCHEMBL5796838 0.88 HDAC6 (0.48) HDAC6NOX1ADRA2ASLC6A2SLC6A4
SCHEMBL5795307 0.85 HDAC6 (0.54) HDAC6NOX1ADRA2ASLC6A2SLC6A4
SCHEMBL5798501 0.85 HDAC6 (0.46) HDAC6NOX1ADRA2ASLC6A2SLC6A4
SCHEMBL16940906 0.84 MAOA (0.43) HDAC6NOX1ADRA2ASLC6A2SLC6A4
SCHEMBL13889525 0.84 HDAC6 (0.45) HDAC6NOX1ADRA2ASLC6A2SLC6A4
SCHEMBL5795297 0.83 HDAC6 (0.47) HDAC6NOX1ADRA2ASLC6A2SLC6A4
SCHEMBL20386518 0.81 TSHR (0.44) HDAC6MEN1KMT2ANPC1CYP1A2
SCHEMBL18352304 0.81 NOX1 (0.44) HDAC6NOX1ADRA2ASLC6A2SLC6A4
SCHEMBL21402681 0.81 KIF11 (0.39) HDAC6NOX1ADRA2ASLC6A2SLC6A4

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-12041848-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2024-07-16 US disclosed
US-11778901-B2 Organic electroluminescent material and organic electroluminescent device comprising same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-10-03 US disclosed
US-11778901-B2 Organic electroluminescent material and organic electroluminescent device comprising same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-10-03 US disclosed
US-20220149278-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-05-12 US disclosed
US-10981876-B2 Spiro compound and organic light emitting element comprising same LG CHEM, LTD. 2021-04-20 US disclosed
US-10968230-B2 Spiro-structured compound and organic electronic device comprising same LG CHEM, LTD. 2021-04-06 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-12041848-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, NR2E3 HDAC6 3140/4885NOX1 460/4885ADRA2A 2334/4885
US-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG HDAC6 1998/4885NOX1 1733/4885ADRA2A 977/4885
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, NR2E3 HDAC6 3140/4885NOX1 460/4885ADRA2A 2334/4885
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG HDAC6 1998/4885NOX1 1733/4885ADRA2A 977/4885
US-10968230-B2 Spiro-structured compound and organic electronic device comprising same ESR1, OR10J3, ERG HDAC6 1882/4885NOX1 1765/4885ADRA2A 1476/4885
US-11778901-B2 Organic electroluminescent material and organic electroluminescent device comprising same MAOA, AOC1, AOC2 HDAC6 4741/4885NOX1 316/4885ADRA2A 1513/4885
US-20220149278-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME MAOA, AOC1, AOC2 HDAC6 4753/4885NOX1 328/4885ADRA2A 1404/4885
US-10981876-B2 Spiro compound and organic light emitting element comprising same RER1, RIF1, CRY1 HDAC6 2290/4885NOX1 561/4885ADRA2A 502/4885

“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.