SCHEMBL13989403

SCHEMBL13989403

Cc1ccc2ccc(-c3cc(C)c(C)c(C)c3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.52
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ESR1 P03372 1/20 0.41
NQO2 P16083 1/20 0.38
CYP2A6 P11509 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NCK1 P16333 1/20 0.35
BACE1 P56817 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL13298973 0.87 CYP1A2 (0.53) CYP1A2ALDH1A1KDM4EL3MBTL1HSD17B10
SCHEMBL29669721 0.85 CYP1A2 (0.55) CYP1A2ALDH1A1KDM4EL3MBTL1ESR1
SCHEMBL13989404 0.85 CYP1A2 (0.55) CYP1A2ALDH1A1KDM4EL3MBTL1ESR1
SCHEMBL13989414 0.84 NPC1 (0.50) CYP1A2ALDH1A1KDM4EHSD17B10ESR1
SCHEMBL13989416 0.82 CYP1A2 (0.57) CYP1A2ALDH1A1KDM4EL3MBTL1HSD17B10
SCHEMBL28051566 0.82 CYP1A2 (0.67) CYP1A2ALDH1A1KDM4EL3MBTL1HSD17B10
SCHEMBL13647118 0.80 PDE10A (0.47) CYP1A2ALDH1A1KDM4EL3MBTL1HSD17B10
SCHEMBL28176596 0.80 ESR1 (0.44) CYP1A2ALDH1A1KDM4EESR1KMT2A
SCHEMBL398766 0.79 KDM4E (0.55) CYP1A2ALDH1A1KDM4EL3MBTL1HSD17B10
SCHEMBL14500793 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1HSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856227-B1 RED PHOSPHORESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICES USING THE SAME LG ELECTRONICS INC (KR) 2016-08-31 EP disclosed
US-7470928-B2 Dopant iridium complexes of 2-alkylphenylquinolines and an alkanedione; host compounds are aluminum or zinc complexes with phenyl, biphenyl, or (iso)quinolinyl ligands or carbazole-biphenyl (CBP); high color purity, high brightness, and long durability; flat panel displays LG ELECTRONICS INC. (KR) 2008-12-30 US disclosed
US-7470928-B2 Dopant iridium complexes of 2-alkylphenylquinolines and an alkanedione; host compounds are aluminum or zinc complexes with phenyl, biphenyl, or (iso)quinolinyl ligands or carbazole-biphenyl (CBP); high color purity, high brightness, and long durability; flat panel displays LG ELECTRONICS INC. (KR) 2008-12-30 US disclosed
US-7378162-B2 Organic electroluminescence devices using red phosphorescence compounds LG ELECTRONICS INC. (KR) 2008-05-27 US disclosed
US-7378162-B2 Organic electroluminescence devices using red phosphorescence compounds LG ELECTRONICS INC. (KR) 2008-05-27 US disclosed
US-20070004918-A1 Red phosphorescence compounds and organic electroluminescence device using the same LG ELECTRONICS INC. 2007-01-04 US disclosed
US-20070004918-A1 Red phosphorescence compounds and organic electroluminescence device using the same LG ELECTRONICS INC. 2007-01-04 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-20070004918-A1 Red phosphorescence compounds and organic electroluminescence device using the same SLC18A1, SLCO4C1, IK CYP1A2 2540/4885ALDH1A1 848/4885KDM4E 3109/4885

“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.