SCHEMBL828193

SCHEMBL828193

C(=C(/c1ccccc1)c1ccccc1-c1ccccc1)\c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
CYP19A1 P11511 2/20 0.47
CYP11B2 P19099 2/20 0.47
BCAT2 O15382 1/20 0.44
PTGS2 P35354 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1C1 Q04828 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC6A1 P30531 2/20 0.39
HNF4A P41235 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
BCL2L1 Q07817 1/20 0.38

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
SCHEMBL828195 1.00 ESR1 (0.48) ESR1CYP19A1CYP11B2BCAT2PTGS2
SCHEMBL5945849 0.90 ESR1 (0.53) ESR1CYP19A1CYP11B2PTGS2MEN1
SCHEMBL13508411 0.87 CYP19A1 (0.40) ESR1CYP19A1CYP11B2BCAT2PTGS2
SCHEMBL128790 0.86 ESR1 (0.43) ESR1CYP19A1CYP11B2BCAT2PTGS2
SCHEMBL5047517 0.85 PTGS2 (0.51) ESR1CYP19A1CYP11B2BCAT2PTGS2
SCHEMBL4612461 0.84 ESR1 (0.59) ESR1CYP19A1CYP11B2PTGS2MEN1
SCHEMBL4612464 0.84 ESR1 (0.59) ESR1CYP19A1CYP11B2PTGS2MEN1
SCHEMBL986594 0.80 ESR1 (0.41) ESR1CYP19A1CYP11B2PTGS2MEN1
SCHEMBL986592 0.80 ESR1 (0.41) ESR1CYP19A1CYP11B2PTGS2MEN1
SCHEMBL27818563 0.80 ESR1 (0.56) ESR1CYP19A1BCAT2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013180456-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-12-05 WO disclosed
EP-2450356-A1 Carbazole and anthracene moiety containing light-emitting device material and light-emitting devices Toray Industries, Inc. (JP) 2012-05-09 EP disclosed
EP-1748045-B1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES (JP) 2012-05-02 EP disclosed
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-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-8143781-B2 Organic electroluminescent compounds with high efficiency and display device using the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-27 US disclosed
WO-2011136484-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-11-03 WO disclosed
WO-2011136482-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-11-03 WO disclosed
WO-2011115378-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-09-22 WO disclosed
WO-2011111930-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-09-15 WO disclosed
WO-2009066809-A1 BLUE ELECTROLUMINESCENT COMPOUNDS WITH HIGH EFFICIENCY AND DISPLAY DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2009-05-28 WO disclosed
WO-2009066808-A1 AROMATIC ELECTROLUMINESCENT COMPOUNDS WITH HIGH EFFICIENCY AND ELECTROLUMINESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2009-05-28 WO disclosed
WO-2009066803-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS WITH HIGH EFFICIENCY AND DISPLAY DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2009-05-28 WO disclosed
WO-2008127004-A1 ELECTROLUMINESCENT COMPOUNDS WITH HIGH EFFICIENCY AND ORGANIC LIGHT-EMITTING DIODE USING THE SAME GRACEL DISPLAY INC. (KR) 2008-10-23 WO disclosed
EP-1748045-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2007-01-31 EP disclosed
EP-1542869-A2 MOLECULAR SCALE ELECTRONIC DEVICES Yale University (US) 2005-06-22 EP disclosed
EP-1542869-A4 MOLECULAR SCALE ELECTRONIC DEVICES UNIV YALE (US) 2005-06-22 EP disclosed
US-6756605-B1 Molecular scale electronic devices YALE UNIVERSITY 2004-06-29 US disclosed
WO-2001027972-A9 MOLECULAR SCALE ELECTRONIC DEVICES UNIV YALE (US) 2002-11-14 WO disclosed
WO-2001027972-A2 MOLECULAR SCALE ELECTRONIC DEVICES YALE UNIVERSITY (US) 2001-04-19 WO 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-20120091885-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME OCIAD1, OCIAD2, ODC1 ESR1 498/4885CYP19A1 1125/4885CYP11B2 1353/4885

“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.