SCHEMBL1103013

SCHEMBL1103013

CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ncccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.45
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TOP1 P11387 2/20 0.43
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
UQCRB P14927 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 2/20 0.37
HSP90AA1 P07900 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
MEN1 O00255 2/20 0.36
PABPC1 P11940 1/20 0.36
EIF4H Q15056 1/20 0.36
GLO1 Q04760 1/20 0.36
MAPT P10636 2/20 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
SCHEMBL1103004 0.97 ALDH1A1 (0.46) KIF11KMT2AALDH1A1KDM4ETOP1
SCHEMBL1103120 0.87 L3MBTL1 (0.42) ALDH1A1KDM4ETOP1NPC1HSP90AA1
SCHEMBL1103081 0.87 L3MBTL1 (0.42) ALDH1A1KDM4ETOP1NPC1HSP90AA1
SCHEMBL1103115 0.87 L3MBTL1 (0.42) ALDH1A1KDM4ETOP1NPC1HSP90AA1
SCHEMBL1103109 0.87 L3MBTL1 (0.42) ALDH1A1KDM4ETOP1NPC1HSP90AA1
SCHEMBL1103150 0.86 ALDH1A1 (0.39) KIF11KMT2AALDH1A1KDM4ETOP1
SCHEMBL1102990 0.85 L3MBTL1 (0.41) ALDH1A1KDM4ETOP1NPC1HSP90AA1
SCHEMBL1103097 0.85 L3MBTL1 (0.41) ALDH1A1KDM4ETOP1NPC1HSP90AA1
SCHEMBL1102789 0.85 L3MBTL1 (0.41) ALDH1A1KDM4ETOP1NPC1HSP90AA1
SCHEMBL1102949 0.85 L3MBTL1 (0.41) ALDH1A1KDM4ETOP1NPC1HSP90AA1

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 KIF11 2859/4885KMT2A 3930/4885ALDH1A1 1015/4885

“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.