SCHEMBL13870949

SCHEMBL13870949

CCc1cc2ccc(-c3cc(C)cc(C)c3)nc2cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
ESRRB O95718 1/20 0.33
ESRRA P11474 1/20 0.33
MAPT P10636 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
PSMB5 P28074 1/20 0.32
NOS3 P29474 2/20 0.32
NOS2 P35228 2/20 0.32
NPC1 O15118 1/20 0.31
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL13870948 0.87 KMO (0.42) KMT2ANPSR1MAPTHEXAHEXB
SCHEMBL13870794 0.83 NPC1 (0.40) KMT2AESR1ESR2MAPTALDH1A1
SCHEMBL13870961 0.83 NPC1 (0.44) ESR1ESR2ESRRBESRRAMAPT
SCHEMBL16487810 0.81 KDM4E (0.40) KMT2ANPSR1MAPTALDH1A1MEN1
SCHEMBL13870957 0.79 KMT2A (0.41) KMT2ANPSR1ESR1MAPTRXFP1
SCHEMBL13870959 0.79 KMT2A (0.43) KMT2ANPSR1ESR1MAPTRXFP1
SCHEMBL14953505 0.78 KMT2A (0.36) KMT2ANPSR1ESR1ESR2MAPT
SCHEMBL13870958 0.78 NQO2 (0.35) KMT2ANPSR1ESR1ESR2ESRRB
SCHEMBL13399637 0.78 PDE10A (0.36) KMT2AESR1ESR2MAPTMEN1
SCHEMBL13870960 0.76 MAP4K4 (0.45) KMT2AMAPTALDH1A1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8956737-B2 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2015-02-17 US disclosed
US-8956737-B2 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2015-02-17 US disclosed
US-20090085476-A1 RED PHOSPHORESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2009-04-02 US disclosed
US-20090085476-A1 RED PHOSPHORESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2009-04-02 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-20090085476-A1 RED PHOSPHORESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IK, G6PD, EYA2 KMT2A 2208/4885NPSR1 3158/4885ESR1 87/4885

“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.