SCHEMBL1102831

SCHEMBL1102831

Cc1cccc(-c2c3ccccc3c(-c3cccc(C)c3)c3ncccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
NPC1 O15118 3/20 0.43
HSP90AA1 P07900 2/20 0.43
BCHE P06276 2/20 0.42
ACHE P22303 1/20 0.42
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
GRM5 P41594 1/20 0.40
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL1103016 0.97 ENPP1 (0.43) ENPP1L3MBTL1NPC1HSP90AA1BCHE
SCHEMBL1103154 0.90 MAPK14 (0.44) ENPP1L3MBTL1BCHEACHEKMT2A
SCHEMBL1103214 0.87 ENPP1 (0.47) ENPP1L3MBTL1BCHEACHEKMT2A
SCHEMBL1102841 0.87 L3MBTL1 (0.46) L3MBTL1NPC1HSP90AA1KMT2AMAPT
SCHEMBL1103030 0.86 NPC1 (0.42) L3MBTL1NPC1HSP90AA1ACHECCR1
SCHEMBL1103113 0.85 ESR1 (0.41) ENPP1L3MBTL1NPC1HSP90AA1ACHE
SCHEMBL1103108 0.85 ESR1 (0.41) ENPP1L3MBTL1NPC1HSP90AA1ACHE
SCHEMBL1102851 0.83 TOP1 (0.39) L3MBTL1NPC1HSP90AA1CCR1CCR8
SCHEMBL488939 0.82 ACHE (0.50) ENPP1L3MBTL1NPC1ACHEKMT2A
SCHEMBL1102913 0.82 TOP1 (0.38) L3MBTL1NPC1HSP90AA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
EP-2147962-A1 Azaanthracene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-27 EP 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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 ENPP1 2661/4885L3MBTL1 1629/4885NPC1 1582/4885

“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.