SCHEMBL5031076

SCHEMBL5031076

C=Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6cccc(C=C)c6)cc5)cc4)cc3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41
PTGS2 P35354 1/20 0.41
APP P05067 2/20 0.40
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CRHBP P24387 1/20 0.34
ATM Q13315 1/20 0.34
CRHR2 Q13324 1/20 0.34
TLR9 Q9NR96 1/20 0.34

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
SCHEMBL12925376 1.00 ALDH1A1 (0.45) ALDH1A1TSHRTDP1TP53PTGS2
SCHEMBL4570413 1.00 ALDH1A1 (0.45) ALDH1A1TSHRTDP1TP53PTGS2
SCHEMBL12925467 1.00 ALDH1A1 (0.45) ALDH1A1TSHRTDP1TP53PTGS2
SCHEMBL14627490 1.00 ALDH1A1 (0.45) ALDH1A1TSHRTDP1TP53PTGS2
SCHEMBL12925365 0.98 ALDH1A1 (0.43) ALDH1A1TSHRTDP1TP53PTGS2
SCHEMBL12925413 0.98 ALDH1A1 (0.43) ALDH1A1TSHRTDP1TP53PTGS2
SCHEMBL12603683 0.98 ALDH1A1 (0.43) ALDH1A1TSHRTDP1TP53PTGS2
SCHEMBL12925363 0.98 ALDH1A1 (0.43) ALDH1A1TSHRTDP1TP53PTGS2
SCHEMBL12925535 0.98 ALDH1A1 (0.43) ALDH1A1TSHRTDP1TP53PTGS2
SCHEMBL5196214 0.96 TDP1 (0.44) ALDH1A1TSHRTDP1TP53PTGS2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479234-B1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE AND LIGHTING DEVICE KONICA MINOLTA HOLDINGS INC (JP) 2017-06-21 EP disclosed
US-9617255-B2 Organic electroluminescent element, and illumination device and display device each comprising the element Konica Minolta, Inc. (JP) 2017-04-11 US disclosed
US-9617255-B2 Organic electroluminescent element, and illumination device and display device each comprising the element Konica Minolta, Inc. (JP) 2017-04-11 US disclosed
EP-3046156-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, AND ILLUMINATION DEVICE AND DISPLAY DEVICE EACH COMPRISING THE ELEMENT Konica Minolta Holdings, Inc. (JP) 2016-07-20 EP disclosed
US-8790793-B2 Organic electroluminescent element with electron transport layer containing condensed aromatic heterocyclic compound, display device and lighting device KONICA MINOLTA HOLDINGS, INC. (JP) 2014-07-29 US disclosed
US-8790793-B2 Organic electroluminescent element with electron transport layer containing condensed aromatic heterocyclic compound, display device and lighting device KONICA MINOLTA HOLDINGS, INC. (JP) 2014-07-29 US disclosed
US-20120261654-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE AND LIGHTING DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2012-10-18 US disclosed
US-20120261654-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE AND LIGHTING DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2012-10-18 US disclosed
EP-2453496-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, NOVEL COMPOUND, LIGHTING DEVICE AND DISPLAY DEVICE Konica Minolta Holdings, Inc. (JP) 2012-05-16 EP disclosed
EP-2395573-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, AND ILLUMINATION DEVICE AND DISPLAY DEVICE EACH COMPRISING THE ELEMENT Konica Minolta Holdings, Inc. (JP) 2011-12-14 EP disclosed
US-20110272687-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, AND ILLUMINATION DEVICE AND DISPLAY DEVICE EACH COMPRISING THE ELEMENT KONICA MINOLTA HOLDINGS, INC. (JP) 2011-11-10 US disclosed
US-20110272687-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, AND ILLUMINATION DEVICE AND DISPLAY DEVICE EACH COMPRISING THE ELEMENT KONICA MINOLTA HOLDINGS, INC. (JP) 2011-11-10 US disclosed
US-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-13 US disclosed
US-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-13 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-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME AOC2, AOC3, CDYL ALDH1A1 54/4885TSHR 3480/4885TDP1 2895/4885

“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.