SCHEMBL3629331

SCHEMBL3629331

Oc1c(-c2ccccc2)cc(-c2ccc(Cc3ccc(-c4cc(-c5ccccc5)c(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.54
PTPN2 P17706 2/20 0.53
PTPN6 P29350 2/20 0.53
BACE1 P56817 3/20 0.46
IDH1 O75874 1/20 0.46
CYP17A1 P05093 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
ABCC4 O15439 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL309670 0.85 PTPN1 (0.67) PTPN1PTPN2PTPN6BACE1CRHBP
SCHEMBL9620617 0.84 PTPN1 (0.70) PTPN1PTPN2PTPN6BACE1IDH1
SCHEMBL29065603 0.83 PTPN1 (0.64) PTPN1PTPN2PTPN6BACE1CRHBP
SCHEMBL14973587 0.83 PTPN1 (0.64) PTPN1PTPN2PTPN6BACE1CRHBP
SCHEMBL29595889 0.83 PTPN1 (0.64) PTPN1PTPN2PTPN6BACE1CRHBP
SCHEMBL9469340 0.83 PTPN1 (0.63) PTPN1PTPN2PTPN6BACE1CRHBP
SCHEMBL3628377 0.83 BACE1 (0.57) PTPN1PTPN2PTPN6BACE1IDH1
SCHEMBL3810063 0.82 MMP3 (0.65) PTPN1BACE1CRHBPCRHR2HTT
SCHEMBL27763862 0.80 PTPN1 (0.58) PTPN1PTPN2PTPN6BACE1IDH1
SCHEMBL13609045 0.79 PTPN1 (0.53) PTPN1PTPN2PTPN6MMP3BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479714-B1 Membrane-electrode assembly for direct methanol type fuel cell and proton conductive membrane JSR CORP (JP) 2010-12-22 EP disclosed
US-7368068-B2 Sulfonic group-containing polyarylene block copolymer, process for production thereof, solid polymer electrolyte and proton conductive membrane JSR CORPORATION (JP) 2008-05-06 US disclosed
US-7348089-B2 Membrane-electrode assembly for direct methanol type fuel cell and proton conductive membrane JSR CORPORATION (JP) 2008-03-25 US disclosed
US-20060043344-A1 Sulfonic group-containing polyarylene block copolymer, process for production thereof, solid polymer electrolyte and proton conductive membrane JSR CORPORATION (JP) 2006-03-02 US disclosed
EP-1630187-A1 Sulfonic group-containing polyarylene block copolymer, process for production thereof, solid polymer electrolyte and proton conductive membrane JSR Corporation (JP) 2006-03-01 EP disclosed
US-20050064260-A1 Membrane-electrode structure for solid polymer fuel cell JSR CORPORATION 2005-03-24 US disclosed
EP-1517390-A2 Membrane-electrode structure for solid polymer fuel cell HONDA MOTOR CO., Ltd. (JP) 2005-03-23 EP disclosed
US-20040265668-A1 Membrane-electrode assembly for direct methanol type fuel cell and proton conductive membrane JSR CORPORATION (JP) 2004-12-30 US disclosed
EP-1479714-A1 Membrane-electrode assembly for direct methanol type fuel cell and proton conductive membrane JSR Corporation (JP) 2004-11-24 EP disclosed