SCHEMBL13487352

SCHEMBL13487352

CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc6ccc7cccnc7c6n5)c5ccccc5c(-c5cccc6c5-c5ccccc5C6(C)C)c4c3)cc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.32
CCR8 P51685 4/20 0.32
CCR5 P51681 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
PDK2 Q15119 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MMP2 P08253 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MMP9 P14780 1/20 0.31
ALOX15 P16050 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
SCHEMBL13487108 0.94 TOP1 (0.32) CCR1CCR8CCR5L3MBTL1HTR2A
SCHEMBL13487274 0.94 CYP17A1 (0.33) CCR1CCR8CCR5L3MBTL1HTR2A
SCHEMBL13487173 0.92 CCR1 (0.32) CCR1CCR8CCR5L3MBTL1HTR2A
SCHEMBL13488118 0.92 CCR1 (0.34) CCR1CCR8CCR5L3MBTL1HTR2A
SCHEMBL13488047 0.89 CYP17A1 (0.33) CCR1CCR8CCR5L3MBTL1PDK2
SCHEMBL13487719 0.89 CCR1 (0.33) CCR1CCR8CCR5L3MBTL1HTR2A
SCHEMBL13487895 0.89 PDK2 (0.33) CCR1CCR8CCR5L3MBTL1PDK2
SCHEMBL13487975 0.89 AVPR2 (0.34) CCR1CCR8CCR5L3MBTL1HTR2A
SCHEMBL13487056 0.88 CCR1 (0.36) CCR1CCR8CCR5L3MBTL1HTR2A
SCHEMBL13487354 0.86 AR (0.34) L3MBTL1KDM4EMAPTGMNNLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 US disclosed
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 US disclosed
EP-2108689-A2 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-10-14 EP 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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 CCR1 3535/4885CCR8 4081/4885CCR5 1804/4885

“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.