SCHEMBL1102733

SCHEMBL1102733

c1ccc2c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)c3ncccc3c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.40
CCR8 P51685 4/20 0.40
CYP3A4 P08684 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
CCR5 P51681 2/20 0.40
LMNA P02545 2/20 0.40
MMP2 P08253 2/20 0.40
TSHR P16473 2/20 0.40
HSP90AA1 P07900 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
CYP2D6 P10635 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
MMP8 P22894 1/20 0.40
THPO P40225 1/20 0.40
MTOR P42345 1/20 0.40

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
SCHEMBL1103233 0.96 KDM4E (0.39) CCR1CCR8CYP3A4MAPTKDM4E
SCHEMBL1103059 0.92 CCR1 (0.36) CCR1CCR8CYP3A4MAPTKDM4E
SCHEMBL1103176 0.87 CCR1 (0.36) CCR1CCR8CYP3A4MAPTKDM4E
SCHEMBL1103090 0.84 KDM4E (0.45) CCR1CCR8CYP3A4MAPTKDM4E
SCHEMBL1103232 0.84 ALDH1A1 (0.40) CCR1CCR8CYP3A4MAPTKDM4E
SCHEMBL1102934 0.83 CRHBP (0.42) CCR1CCR8CYP3A4MAPTKDM4E
SCHEMBL1102865 0.82 KDM4E (0.47) CCR1CCR8CYP3A4MAPTKDM4E
SCHEMBL13512523 0.79 KDM4E (0.50) CCR1CCR8CYP3A4MAPTKDM4E
SCHEMBL1103195 0.78 KDM4E (0.43) CCR1CCR8CYP3A4MAPTKDM4E
SCHEMBL1102881 0.78 CYP11B2 (0.51) CYP3A4MAPTKDM4ELMNATSHR

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 CCR1 1341/4885CCR8 1581/4885CYP3A4 1409/4885

“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.