SCHEMBL1946355

SCHEMBL1946355

O=S(=O)(O)C1COc2ccccc2O1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.46
NISCH Q9Y2I1 1/20 0.46
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MTNR1A P48039 1/20 0.43
ALOX5 P09917 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL25279034 0.81 CA2 (0.46) CA2NISCHHTTALDH1A1HPGD
SCHEMBL11412570 0.81 CA2 (0.48) CA2NISCHHTTALDH1A1SMN1; SMN2
SCHEMBL30464074 0.81 CA2 (0.46) CA2NISCHHTTALDH1A1HPGD
SCHEMBL5864109 0.81 CA2 (0.54) CA2NISCHHTTALDH1A1ALOX5
SCHEMBL11429642 0.77 CA2 (0.47) CA2ALDH1A1HPGDSMN1; SMN2MTNR1A
SCHEMBL1479943 0.77 SMN1; SMN2 (0.52) CA2HTTSMN1; SMN2KMT2A
SCHEMBL9662181 0.77 CA2 (0.47) CA2NISCHHTTHPGDSMN1; SMN2
SCHEMBL4901600 0.77 SMN1; SMN2 (0.52) CA2HTTSMN1; SMN2KMT2A
Sulfuric Acid SCHEMBL29003462 0.76 CA2 (0.45) CA2NISCHHTTALDH1A1HPGD
SCHEMBL11072331 0.74 HPGD (0.43) CA2NISCHHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575392-B2 Charge-transporting varnish NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-11-05 US claimed
EP-2042484-B1 CHARGE-TRANSPORTING VARNISH NISSAN CHEMICAL IND LTD (JP) 2012-09-05 EP claimed
EP-1640372-B1 1,4-BENZODIOXANE SULFONIC ACID COMPOUND AND USE THEREOF AS ELECTRON-ACCEPTOR MATERIAL NISSAN CHEMICAL IND LTD (JP) 2012-08-01 EP claimed
US-7771842-B2 1,4-benzodioxane sulfonic acid compound and use thereof as electron-acceptor material NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-10 US claimed
US-20090269688-A1 CHARGE-TRANSPORTING VARNISH NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-10-29 US claimed
EP-2042484-A1 CHARGE-TRANSPORTING VARNISH Nissan Chemical Industries, Ltd. (JP) 2009-04-01 EP claimed
US-20070105030-A1 1, 4-Benzodioxane sulfonic acid compound and use thereof as electron-acceptor material NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-05-10 US claimed
EP-1640372-A1 1,4-BENZODIOXANE SULFONIC ACID COMPOUND AND USE THEREOF AS ELECTRON-ACCEPTOR MATERIAL Nissan Chemical Industries, Ltd. (JP) 2006-03-29 EP claimed
CN-111492497-B Charge-transporting varnish and charge-transporting film 日产化学株式会社 2023-05-26 CN disclosed
US-10847725-B2 Sulfonic acid ester compound and use therefor NISSAN CHEMICAL CORPORATION (JP) 2020-11-24 US disclosed
US-20200339825-A1 CHARGE TRANSPORTING VARNISH AND CHARGE TRANSPORTING THIN FILM NISSAN CHEMICAL CORPORATION (JP) 2020-10-29 US disclosed
EP-3731291-A1 CHARGE-TRANSPORTING VARNISH AND CHARGE-TRANSPORTING THIN FILM Nissan Chemical Corporation (JP) 2020-10-28 EP disclosed
EP-3730477-A1 SULFONIC ACID ESTER COMPOUND AND USE OF SAME Nissan Chemical Corporation (JP) 2020-10-28 EP disclosed
US-20200317609-A1 SULFONIC ACID ESTER COMPOUND AND USE OF SAME NISSAN CHEMICAL CORPORATION (JP) 2020-10-08 US disclosed
CN-1829706-A 1, 4-benzodioxan sulfonic acid compound and use thereof as electron acceptor substance NISSAN CHEMICAL IND LTD (JP) 2006-09-06 CN disclosed
CN-1829706-A 1, 4-benzodioxan sulfonic acid compound and use thereof as electron acceptor substance NISSAN CHEMICAL IND LTD (JP) 2006-09-06 CN disclosed
US-20060116512-A1 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents GLAXO GROUP LIMITED (GB) 2006-06-01 US disclosed
EP-1640372-A1 1,4-BENZODIOXANE SULFONIC ACID COMPOUND AND USE THEREOF AS ELECTRON-ACCEPTOR MATERIAL Nissan Chemical Industries, Ltd. (JP) 2006-03-29 EP disclosed
EP-1640372-A1 1,4-BENZODIOXANE SULFONIC ACID COMPOUND AND USE THEREOF AS ELECTRON-ACCEPTOR MATERIAL Nissan Chemical Industries, Ltd. (JP) 2006-03-29 EP disclosed
WO-2005000832-A1 1,4-BENZODIOXANE SULFONIC ACID COMPOUND AND USE THEREOF AS ELECTRON-ACCEPTOR MATERIAL NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-01-06 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 (5 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-20070105030-A1 1, 4-Benzodioxane sulfonic acid compound and use thereof as electron-acceptor material USE1, SLC9A1, ELOVL1 CA2 1456/4885NISCH 1677/4885HTT 2621/4885
US-10847725-B2 Sulfonic acid ester compound and use therefor FFAR4, CYP4F11, SLC46A1 CA2 2043/4885NISCH 312/4885HTT 2870/4885
US-20200317609-A1 SULFONIC ACID ESTER COMPOUND AND USE OF SAME CYP2S1, OR10J3, ACAD11 CA2 544/4885NISCH 883/4885HTT 2976/4885
US-20090269688-A1 CHARGE-TRANSPORTING VARNISH SLCO2A1, SLCO2B1, SLC43A1 CA2 476/4885NISCH 1645/4885HTT 906/4885
US-20060116512-A1 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents NQO2, NQO1, NPM1 CA2 4465/4885NISCH 23/4885HTT 2401/4885

“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.