SCHEMBL1102877

SCHEMBL1102877

c1ccc(N2c3ccccc3N(c3ccccc3)c3cc(-c4c5ccccc5c(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5N6c5ccccc5)c5ncccc45)ccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C19 P33261 3/20 0.32
TSHR P16473 1/20 0.32
KAT2B Q92831 1/20 0.32
LDHA P00338 1/20 0.32
KDM4E B2RXH2 4/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 2/20 0.32
GAA P10253 2/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
COMT P21964 1/20 0.31
PAX8 Q06710 1/20 0.31
TACR1 P25103 2/20 0.31
HSP90AA1 P07900 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP2D6 P10635 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
SCHEMBL1102886 0.86 HTT (0.32) HTTALDH1A1HSD17B10COMT
SCHEMBL1103001 0.85 HTT (0.31) HTTCYP2C19KDM4ECYP1A2HSP90AA1
SCHEMBL1102925 0.85 HDAC6 (0.34) KAT2BMEN1KMT2A
SCHEMBL1102961 0.85 ADRA2A (0.37) HTTALDH1A1HSD17B10CYP2C19TSHR
SCHEMBL1103032 0.84 PDE4A (0.31)
SCHEMBL1103028 0.83 EGLN1 (0.33) HTTALDH1A1HSD17B10CYP2C19CYP1A2
SCHEMBL20837346 0.81 FAAH (0.33) HTTALDH1A1CYP2C19TSHRGAA
SCHEMBL1102691 0.81 DYRK1A (0.36) HTTALDH1A1CYP2C19KDM4ECYP1A2
SCHEMBL1102923 0.80 L3MBTL1 (0.49) HTTALDH1A1HSD17B10CYP2C19TSHR
SCHEMBL1103056 0.77 L3MBTL1 (0.46) HTTALDH1A1CYP2C19TSHRKDM4E

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 5 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
EP-2147962-A1 Azaanthracene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-27 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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 HTT 4390/4885ALDH1A1 1015/4885HSD17B10 2186/4885

“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.