SCHEMBL1003359

SCHEMBL1003359

c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4ccc5c(-c6ccc(-c7ccccc7)cc6)cc(-c6ccc(-c7ccccc7)cc6)c6ccc3c4c65)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
BACE1 P56817 1/20 0.44
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MPI P34949 1/20 0.42
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
IMPDH2 P12268 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MMP3 P08254 1/20 0.40
BCL2L1 Q07817 1/20 0.40
ALOX5 P09917 2/20 0.39

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
SCHEMBL3419780 1.00 ALDH1A1 (0.45) ALDH1A1BACE1HPGDMEN1MAPT
SCHEMBL4584768 0.97 BACE1 (0.46) ALDH1A1BACE1HPGDMEN1MAPT
SCHEMBL260886 0.95 BACE1 (0.48) ALDH1A1BACE1HPGDMEN1MAPT
SCHEMBL13250969 0.89 GRM2 (0.45) HPGDCYP1A2
SCHEMBL13251081 0.89 GRM2 (0.45) HPGDCYP1A2
SCHEMBL15945804 0.87 GRM2 (0.46) HPGDCYP1A2
SCHEMBL13251076 0.87 GRM2 (0.46) HPGDCYP1A2
SCHEMBL13250966 0.87 GRM2 (0.46) HPGDCYP1A2
SCHEMBL2207885 0.87 CYP1A2 (0.56) ALDH1A1MEN1KMT2AKDM4EMAPK1
SCHEMBL27548280 0.86 BACE1 (0.41) ALDH1A1BACE1HPGDMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1621597-B1 1,3,6,8-TETRASUBSTITUTED PYRENE COMPOUNDS, ORGANIC EL DEVICE AND ORGANIC EL DISPLAY UDC IRELAND LTD (IE) 2013-09-18 EP claimed
US-7871711-B2 blue light-emitting layer includes a 1,3,6,8-tetrasubstituted pyrene compounds selected from 1,3,6,8-tetra(4-biphenyl)pyrene, 1,3,6,8-tetra(4-dibenzofuranyl)pyrene, and 1,3,6,8-tetra(4-dibenzothionyl)pyrene; chloro [2,3,7,8,12,13,17,18-octaethylporphrinato] iron (trivalent) as light emitting material FUJIFILM CORPORATION (JP) 2011-01-18 US claimed
US-20070285005-A1 Organic Electroluminescent Element and Organic Electroluminescent Display FUJI PHOTO FILM., LTD. (JP) 2007-12-13 US claimed
US-20070154735-A1 Organic EL element and organic EL display FUJI PHOTO FILM CO., LTD. (JP) 2007-07-05 US claimed
EP-1621597-A1 1,3,6,8-TETRASUBSTITUTED PYRENE COMPOUNDS, ORGANIC EL DEVICE AND ORGANIC EL DISPLAY FUJITSU LIMITED (JP) 2006-02-01 EP claimed
US-20050238920-A1 1,3,6,8-Tetrasubstituted pyrene compound, organic electroluminescent element, and organic electroluminescent display FUJITSU LIMITED (JP) 2005-10-27 US claimed
EP-1621597-B1 1,3,6,8-TETRASUBSTITUTED PYRENE COMPOUNDS, ORGANIC EL DEVICE AND ORGANIC EL DISPLAY UDC IRELAND LTD (IE) 2013-09-18 EP disclosed
US-7935433-B2 Organic EL element, organic EL display apparatus, method for manufacturing organic EL element, and apparatus for manufacturing organic EL element FUJIFILM CORPORATION (JP) 2011-05-03 US disclosed
US-7871711-B2 blue light-emitting layer includes a 1,3,6,8-tetrasubstituted pyrene compounds selected from 1,3,6,8-tetra(4-biphenyl)pyrene, 1,3,6,8-tetra(4-dibenzofuranyl)pyrene, and 1,3,6,8-tetra(4-dibenzothionyl)pyrene; chloro [2,3,7,8,12,13,17,18-octaethylporphrinato] iron (trivalent) as light emitting material FUJIFILM CORPORATION (JP) 2011-01-18 US disclosed
US-7687986-B2 Organic EL device having hole-injection layer doped with metallic oxide FUJIFILM CORPORATION (JP) 2010-03-30 US disclosed
US-20080105865-A1 Pyrene Based Compound and Light Emitting Transistor Element Using the Same PIONEER CORPORATION (JP) 2008-05-08 US disclosed
US-20080038583-A1 Organic El Element, Organic El Display Apparatus, Method for Manufacturing organic El Element, and Apparatus for Manufacturing Organic El Element UDC IRELAND LIMITED (IE) 2008-02-14 US disclosed
US-20070285005-A1 Organic Electroluminescent Element and Organic Electroluminescent Display FUJI PHOTO FILM., LTD. (JP) 2007-12-13 US disclosed
EP-1816114-A1 PYRENE COMPOUND AND LIGHT EMITTING TRANSISTOR DEVICE UTILIZING THE SAME Rohm Co., Ltd. (JP) 2007-08-08 EP disclosed
US-20070154735-A1 Organic EL element and organic EL display FUJI PHOTO FILM CO., LTD. (JP) 2007-07-05 US disclosed
US-20060279190-A1 Organic EL device FUJI PHOTO FILM CO., LTD (JP) 2006-12-14 US disclosed
EP-1621597-A1 1,3,6,8-TETRASUBSTITUTED PYRENE COMPOUNDS, ORGANIC EL DEVICE AND ORGANIC EL DISPLAY FUJITSU LIMITED (JP) 2006-02-01 EP disclosed
US-20050238920-A1 1,3,6,8-Tetrasubstituted pyrene compound, organic electroluminescent element, and organic electroluminescent display FUJITSU LIMITED (JP) 2005-10-27 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-20080105865-A1 Pyrene Based Compound and Light Emitting Transistor Element Using the Same CYP1A1, SULT1A1, SULT1E1 ALDH1A1 318/4885BACE1 1071/4885HPGD 2972/4885

“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.