SCHEMBL13870902

SCHEMBL13870902

Cc1cc2ccc(-c3cccc(C)c3C)nc2cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 5/20 0.44
AR P10275 5/20 0.43
CNR2 P34972 1/20 0.41
TLR8 Q9NR97 1/20 0.39
NQO2 P16083 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MBNL1 Q9NR56 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 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
SCHEMBL13989406 0.85 ESR1 (0.48) NUDT1ARCNR2NQO2RAB9A
SCHEMBL13870956 0.85 NUDT1 (0.39) NUDT1ARCNR2TLR8NPC1
SCHEMBL13870936 0.84 PDGFRB (0.45) NUDT1ARTLR8NQO2NPC1
SCHEMBL13298987 0.83 CYP1A2 (0.49) NUDT1ARNQO2NPC1RAB9A
SCHEMBL4439948 0.82 AR (0.63) NUDT1ARCNR2NPC1RAB9A
SCHEMBL29986356 0.81 AR (0.59) ARNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL13870913 0.80 NUDT1 (0.42) NUDT1ARCNR2TLR8
SCHEMBL29986008 0.79 AR (0.57) ARNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14500750 0.79 NCF1 (0.49) NUDT1NQO2NPC1RAB9ASMN1; SMN2
SCHEMBL13870908 0.78 NQO2 (0.43) ARNQO2NPC1RAB9APDGFRB

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 NUDT1 391/4885AR 1429/4885CNR2 4734/4885

“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.