SCHEMBL10010135

SCHEMBL10010135

CC1(C)c2cc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 9/20 0.39
▸ PDK2 Q15119 2/20 0.35
▸ RARA P10276 4/20 0.34
▸ RARB P10826 4/20 0.34
▸ RARG P13631 4/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP26A1 O43174 1/20 0.34
▸ CRABP2 P29373 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HNF4A P41235 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CRHBP P24387 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
SCHEMBL12330802 1.00 GRM5 (0.39) GRM5PDK2RARARARBRARG
SCHEMBL12330603 1.00 GRM5 (0.39) GRM5PDK2RARARARBRARG
SCHEMBL12330606 1.00 GRM5 (0.39) GRM5PDK2RARARARBRARG
SCHEMBL13520238 0.98 GRM5 (0.36) GRM5PDK2RARARARBRARG
SCHEMBL13520257 0.95 CYP1A2 (0.38) GRM5PDK2RARARARBRARG
SCHEMBL12331538 0.93 GRM5 (0.35) GRM5PDK2RARARARBRARG
SCHEMBL12330604 0.93 GRM5 (0.40) GRM5PDK2RARARARBRARG
SCHEMBL13520251 0.93 CYP1A2 (0.36) GRM5PDK2RARARARBRARG
SCHEMBL12330797 0.92 GRM5 (0.34) GRM5PDK2RARARARBRARG
SCHEMBL12330609 0.92 RARA (0.35) GRM5PDK2RARARARBRARG

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120091885-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Rohm and Haas Electronic Materials Korea Let. (KR) 2012-04-19 — — 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-7888863-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2011-02-15 — — US disclosed
WO-2011016648-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-02-10 — — WO disclosed
EP-2281862-A2 Fluorene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2011-02-09 — — EP disclosed
EP-2281863-A2 Fluorene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2011-02-09 — — EP disclosed
WO-2011010843-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-01-27 — — WO disclosed
WO-2010151011-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOW ADVANCED DISPLAY MATERIALS, LTD. (KR) 2010-12-29 — — WO disclosed
WO-2010151006-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOW ADVANCED DISPLAY MATERIALS, LTD. (KR) 2010-12-29 — — WO disclosed
EP-2256176-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-12-01 — — EP disclosed
US-20090184631-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-23 — — US disclosed
US-20090179555-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-16 — — US disclosed
US-20090174316-A1 Novel red electroluminescent compounds and organi electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-09 — — US disclosed
US-20090165860-A1 Electroluminescent device using electroluminescent compounds GRACEL DISPLAY INC. (KR) 2009-07-02 — — US disclosed
US-20090165860-A1 Electroluminescent device using electroluminescent compounds GRACEL DISPLAY INC. (KR) 2009-07-02 — — US disclosed
EP-2075309-A2 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-07-01 — — EP disclosed
US-20090153040-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-06-18 — — US disclosed
US-20090153039-A1 Green electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-06-18 — — US disclosed
US-20090153037-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-06-18 — — US disclosed
US-20090145483-A1 Novel electroluminescent compounds and organic electroluminescent device suing the same GRACEL DISPLAY INC. (KR) 2009-06-11 — — 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 (8 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-20090145483-A1 Novel electroluminescent compounds and organic electroluminescent device suing the same LEF1, ODC1, AOC2 GRM5 2589/4885PDK2 1007/4885RARA 3770/4885
US-20090184631-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same ALDH1A2, ODC1, NDUFS2 GRM5 3182/4885PDK2 670/4885RARA 1324/4885
US-20090174316-A1 Novel red electroluminescent compounds and organi electroluminescent device using the same ALPI, IK, ALDH1A2 GRM5 3264/4885PDK2 497/4885RARA 1188/4885
US-20090153040-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, APOL1 GRM5 3072/4885PDK2 1579/4885RARA 3964/4885
US-20090153037-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same NDUFS2, ALDH1A2, ODC1 GRM5 3326/4885PDK2 696/4885RARA 1141/4885
US-20090153039-A1 Green electroluminescent compounds and organic electroluminescent device using the same C1S, ACSL3, CCNL2 GRM5 4204/4885PDK2 411/4885RARA 3946/4885
US-20090179555-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same NDUFS2, ALDH1A2, ODC1 GRM5 3326/4885PDK2 696/4885RARA 1141/4885
US-20120091885-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME OCIAD1, OCIAD2, ODC1 GRM5 3782/4885PDK2 1146/4885RARA 2779/4885

“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.

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