SCHEMBL12901308

SCHEMBL12901308

Cc1ccc2c(c1)N(c1ccccc1)c1ccccc1C=C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 1/20 0.37
MGLL Q99685 3/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPK1 P28482 4/20 0.36
MAPT P10636 4/20 0.36
GAA P10253 2/20 0.36
ATM Q13315 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
P2RX4 Q99571 3/20 0.35
FGFR1 P11362 1/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL11978701 0.90 MAPT (0.42) ALDH1A1KDM4EHSD17B10MGLLHSP90AA1
SCHEMBL11978693 0.85 MGLL (0.48) ALDH1A1MGLLMAPK1GAAP2RX4
SCHEMBL12320963 0.83 MGLL (0.46) ALDH1A1MGLLMAPK1MAPTGAA
SCHEMBL18054953 0.82 HSP90AA1 (0.55) ALDH1A1HSD17B10MGLLHSP90AA1MAPK1
SCHEMBL11978695 0.80 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10MGLLHSP90AA1
SCHEMBL13352987 0.79 GNG2 (0.47) ALDH1A1MGLLMAPK1MAPTGAA
SCHEMBL16598115 0.79 OPRK1 (0.42) ALDH1A1MGLLHSP90AA1MAPK1MAPT
SCHEMBL1102474 0.79 MGLL (0.38) ALDH1A1MGLLMAPK1MAPTGAA
SCHEMBL13443082 0.78 POLB (0.45) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL1612154 0.77 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10MGLLHSP90AA1

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 6 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-7888863-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2011-02-15 US disclosed
US-20100096982-A1 Novel organic electroluminescent compounds and organic electrouminescent device using the same GRACEL DISPLAY INC. (KR) 2010-04-22 US disclosed
US-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-04 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-20090260686-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-22 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 (4 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-20090260686-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, FZD7 HDAC3 4054/4885HDAC1 3040/4885HDAC2 2616/4885
US-20100096982-A1 Novel organic electroluminescent compounds and organic electrouminescent device using the same OCIAD1, OR10J3, ORMDL3 HDAC3 4080/4885HDAC1 2387/4885HDAC2 2872/4885
US-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same RPL36, RPL39, RPL36A HDAC3 2778/4885HDAC1 1247/4885HDAC2 1727/4885
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 HDAC3 4461/4885HDAC1 3890/4885HDAC2 3041/4885

“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.