SCHEMBL13487161

SCHEMBL13487161

CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4cccc5oc6ccccc6c45)c4ccc(-c5cccc6ccccc56)cc34)cccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
SLC6A4 P31645 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRND Q07001 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MCL1 Q07820 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
ALOX5 P09917 1/20 0.32
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL13487259 0.91 CASP3 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL13487159 0.91 HSP90AA1 (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL13487963 0.90 ENPP3 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL13487097 0.89 PLA2G2A (0.35) ALOX5
SCHEMBL13487163 0.88 ALOX5 (0.43) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL13487342 0.88 PDK2 (0.31) ALOX5
SCHEMBL24285500 0.86 MAOA (0.33) SLC6A2SLC6A4MAOAKDM4EALDH1A1
SCHEMBL13487039 0.84 MAOB (0.33) MAOAMAOBKDM4EALDH1A1RAB9A
SCHEMBL22705858 0.83 ALOX5 (0.40) ALOX5MAOAMAOBKDM4EALDH1A1
SCHEMBL22706694 0.83 ALOX5 (0.40) L3MBTL1ALOX5MAOAKDM4EALDH1A1

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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 US disclosed
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 CHRNA1 1565/4885CHRNG 3616/4885CHRNB1 2543/4885

“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.