SCHEMBL1103218

SCHEMBL1103218

Cc1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ncccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.46
ENPP1 P22413 2/20 0.45
CCR1 P32246 4/20 0.42
CCR8 P51685 4/20 0.42
DHFR P00374 1/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ENPP3 O14638 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FLT3 P36888 1/20 0.39
SHMT2 P34897 1/20 0.38
CCR5 P51681 3/20 0.38

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
SCHEMBL1103087 0.91 KDM4E (0.42) ENPP1CCR1CCR8DHFRMAPT
SCHEMBL1103207 0.90 CCR1 (0.44) COMTENPP1CCR1CCR8DHFR
SCHEMBL1103198 0.90 KDM4E (0.41) COMTENPP1CCR1CCR8DHFR
SCHEMBL1103095 0.89 KDM4E (0.40) ENPP1CCR1CCR8DHFRMAPT
SCHEMBL1103184 0.89 KDM4E (0.40) ENPP1CCR1CCR8MAPTKDM4E
SCHEMBL1103102 0.87 KDM4E (0.40) ENPP1CCR1CCR8MAPTKDM4E
SCHEMBL1103214 0.86 ENPP1 (0.47) ENPP1CCR1CCR8DHFRMAPT
SCHEMBL1103217 0.86 CCR1 (0.47) CCR1CCR8DHFRMAPTKDM4E
SCHEMBL1103117 0.86 KDM4E (0.40) ENPP1CCR1CCR8DHFRMAPT
SCHEMBL1103000 0.85 KDM4E (0.42) COMTENPP1CCR1CCR8MAPT

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 COMT 435/4885ENPP1 2661/4885CCR1 1341/4885

“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.