SCHEMBL1102961

SCHEMBL1102961

c1ccc(N2c3ccccc3CCc3ccc(-c4c5ccccc5c(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5CC6)c5ncccc45)cc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
MAPT P10636 5/20 0.35
KDM4E B2RXH2 5/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 2/20 0.35
ALOX12 P18054 2/20 0.35
HTT P42858 2/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 2/20 0.34
HSD17B3 P37058 1/20 0.32
NPSR1 Q6W5P4 3/20 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
SCHEMBL1102877 0.85 HTT (0.35) MAPTKDM4EKMT2AALDH1A1TP53
SCHEMBL1102964 0.84 KMT2A (0.36) ADRA2AADRA2BADRA2CMAPTKDM4E
SCHEMBL1102692 0.83 ADRA2A (0.37) ADRA2AADRA2BADRA2CALDH1A1POLB
SCHEMBL13623258 0.81 HPGD (0.41) ADRA2AADRA2BADRA2CMAPTKDM4E
SCHEMBL1103352 0.80 ADRA2A (0.32) ADRA2AADRA2BADRA2CMAPTKDM4E
SCHEMBL1102886 0.80 HTT (0.32) ALDH1A1HTTHSD17B10
SCHEMBL1103028 0.79 EGLN1 (0.33) LMNAALDH1A1HTTMAPK1HSD17B10
SCHEMBL1103075 0.79 MAPT (0.39) ADRA2AADRA2BADRA2CMAPTKDM4E
SCHEMBL1103001 0.79 HTT (0.31) KDM4EKMT2ATP53HTTNPSR1
SCHEMBL1102925 0.79 HDAC6 (0.34) KMT2AMEN1

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 ADRA2A 2843/4885ADRA2B 2389/4885ADRA2C 2321/4885

“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.