SCHEMBL1102967

SCHEMBL1102967

c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc(-c4cccc5ccccc45)c3)c3ncccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
CCR1 P32246 3/20 0.41
CCR8 P51685 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPT P10636 5/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 1/20 0.40
PIK3CD O00329 1/20 0.40
TNF P01375 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 3/20 0.39
TSHR P16473 2/20 0.39
NFKB1 P19838 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 2/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL1103006 0.97 TNF (0.41) BRD4CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL1103194 0.96 BRD4 (0.40) BRD4CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL1103141 0.93 PIM1 (0.39) BRD4CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL1102931 0.92 CCR1 (0.41) CCR1CCR8L3MBTL1ALDH1A1KDM4E
SCHEMBL1103119 0.92 ESR1 (0.40) BRD4CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL1103106 0.92 ESR1 (0.40) BRD4CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL1102982 0.91 ESR1 (0.40) CCR1CCR8L3MBTL1ALDH1A1KDM4E
SCHEMBL1103149 0.90 PIM1 (0.41) CCR1CCR8L3MBTL1ALDH1A1KDM4E
SCHEMBL1103189 0.89 TOP1 (0.39) BRD4CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL1102981 0.88 TNF (0.46) CCR1CCR8L3MBTL1ALDH1A1KDM4E

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-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

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 BRD4 1650/4885CCR1 1341/4885CCR8 1581/4885

“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.