SCHEMBL13870903

SCHEMBL13870903

COc1cccc(-c2ccc3cc(C)c(C)cc3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.51
TOP1 P11387 1/20 0.48
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
WDR5 P61964 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46

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
SCHEMBL13399461 0.89 MAP4K4 (0.47) MAP4K4TOP1RAB9ASMN1; SMN2NFKB1
SCHEMBL13399662 0.89 MAP4K4 (0.47) MAP4K4TOP1RAB9ASMN1; SMN2NFKB1
SCHEMBL13870960 0.86 MAP4K4 (0.45) MAP4K4TOP1RAB9ASMN1; SMN2NFKB1
SCHEMBL13870935 0.86 PDGFRB (0.61) MAP4K4TOP1RAB9ASMN1; SMN2NFKB1
SCHEMBL3012991 0.84 MAP4K4 (0.57) MAP4K4TOP1RAB9ASMN1; SMN2NFKB1
SCHEMBL12313234 0.84 MAP4K4 (0.44) MAP4K4TOP1RAB9ASMN1; SMN2NFKB1
SCHEMBL12313244 0.84 MAP4K4 (0.44) MAP4K4TOP1RAB9ASMN1; SMN2NFKB1
SCHEMBL13399544 0.84 ADORA2A (0.52) MAP4K4TOP1RAB9ASMN1; SMN2NFKB1
SCHEMBL29746123 0.81 RAB9A (0.69) MAP4K4TOP1RAB9ASMN1; SMN2NFKB1
SCHEMBL6851588 0.81 RAB9A (0.69) MAP4K4TOP1RAB9ASMN1; SMN2NFKB1

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 MAP4K4 3011/4885TOP1 2115/4885RAB9A 161/4885

“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.