SCHEMBL1102446

SCHEMBL1102446

CC(C)c1ccc2c(c1)N(C)c1ccccc1C=C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.42
P2RX4 Q99571 6/20 0.40
P2RX1 P51575 3/20 0.40
P2RX3 P56373 3/20 0.40
P2RX7 Q99572 2/20 0.40
NPSR1 Q6W5P4 3/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
PTBP1 P26599 1/20 0.35
GAA P10253 1/20 0.35
KIF11 P52732 1/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MTNR1A P48039 1/20 0.33

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
SCHEMBL2705693 0.88 NR1H3 (0.37) NR1H3LMNAGAAHTT
SCHEMBL2756591 0.82 MAPK1 (0.36) NR1H3LMNAMEN1MAPTKMT2A
SCHEMBL1102429 0.80 NR1H3 (0.47) NR1H3LMNAMEN1MAPTKMT2A
SCHEMBL2607158 0.79 MAPT (0.49) P2RX4P2RX1P2RX3P2RX7NPSR1
SCHEMBL2756790 0.79 NR1H3 (0.34) NR1H3LMNAMEN1MAPTKMT2A
SCHEMBL1102474 0.79 MGLL (0.38) NR1H3P2RX4P2RX1P2RX3P2RX7
SCHEMBL20055030 0.79 BRD4 (0.33) NR1H3MAPTTSHRMAPK1
SCHEMBL12841613 0.77 MEN1 (0.44) P2RX4P2RX1P2RX3P2RX7NPSR1
SCHEMBL13511705 0.75 MEN1 (0.39) P2RX4P2RX1P2RX3P2RX7NPSR1
SCHEMBL13408655 0.74 POLB (0.42) NR1H3P2RX4P2RX1P2RX3P2RX7

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 12 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-7906228-B2 Compounds for electronic material and organic electronic device using the same GRACEL DISPLAY INC. (KR) 2011-03-15 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-20100096982-A1 Novel organic electroluminescent compounds and organic electrouminescent device using the same GRACEL DISPLAY INC. (KR) 2010-04-22 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
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 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-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20090288707-A1 Novel compounds for electronic material and organic electronic device using the same GRACEL DISPLAY INC. (KR) 2009-11-26 US disclosed
US-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 US disclosed
US-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 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 (6 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-20100096982-A1 Novel organic electroluminescent compounds and organic electrouminescent device using the same OCIAD1, OR10J3, ORMDL3 NR1H3 295/4885P2RX4 976/4885P2RX1 821/4885
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 NR1H3 524/4885P2RX4 1876/4885P2RX1 1751/4885
US-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 NR1H3 320/4885P2RX4 1538/4885P2RX1 1627/4885
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 NR1H3 259/4885P2RX4 1489/4885P2RX1 2275/4885
US-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 NR1H3 481/4885P2RX4 1446/4885P2RX1 1528/4885
US-20090288707-A1 Novel compounds for electronic material and organic electronic device using the same OCIAD1, OCIAD2, ORMDL3 NR1H3 946/4885P2RX4 1481/4885P2RX1 1981/4885

“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.