SCHEMBL3476592

SCHEMBL3476592

CC(C)(C)c1ccc(N2c3ccccc3Sc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.38
HIF1A Q16665 1/20 0.36
LPL P06858 4/20 0.35
LIPG Q9Y5X9 4/20 0.35
BCHE P06276 1/20 0.33
MEN1 O00255 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
MAOA P21397 1/20 0.31
ROCK1 Q13464 1/20 0.30

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
SCHEMBL13832944 0.88 LPL (0.43) HDAC6LPLLIPGMEN1ADRA2A
SCHEMBL20114153 0.86 LIPG (0.52) HDAC6LPLLIPGBCHEMEN1
SCHEMBL29662259 0.84 LPL (0.49) HDAC6LPLLIPGNOX1MAOA
SCHEMBL18267536 0.84 LPL (0.49) HDAC6LPLLIPGNOX1MAOA
SCHEMBL20114170 0.83 LPL (0.37) HDAC6LPLLIPGMEN1ADRA2A
SCHEMBL20114185 0.83 LPL (0.48) HDAC6LPLLIPGBCHEMEN1
SCHEMBL21392268 0.82 HIF1A (0.37) HIF1ALPLLIPGROCK1
SCHEMBL5796838 0.80 HDAC6 (0.48) HDAC6BCHEMEN1ADRA2AADRA2B
SCHEMBL20114063 0.80 LIPG (0.47) HDAC6LPLLIPGMEN1ADRA2A
SCHEMBL20114173 0.80 LIPG (0.52) HDAC6LPLLIPGMEN1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833635-B2 Organoelectroluminescent compound and organoelectroluminescent device employing the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2010-11-16 US disclosed
US-20080093987-A1 Organoelectroluminescent compound and organoelectroluminescent device employing the same SAMSUNG DISPLAY CO., LTD. (KR) 2008-04-24 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 (1 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-20080093987-A1 Organoelectroluminescent compound and organoelectroluminescent device employing the same PPOX, EML4, ALPL HDAC6 4714/4885HIF1A 4161/4885LPL 1575/4885

“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.