SCHEMBL3168684

SCHEMBL3168684

CCCCCCCCCCCCC(CCCCCCCCCC)COc1ccc(Cl)c2c(=O)c3ccccc3sc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
RAB9A P51151 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPC1 O15118 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
MAOA P21397 6/20 0.33
TP53 P04637 2/20 0.33
CHRM2 P08172 2/20 0.33
HTR1A P08908 2/20 0.33
ADRA2A P08913 2/20 0.33
CHRM1 P11229 2/20 0.33
TBXA2R P21731 2/20 0.33
SLC6A2 P23975 2/20 0.33
APEX1 P27695 2/20 0.33

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
SCHEMBL3159488 0.88 CYP2C9 (0.41) MAPTCYP1A2CYP3A4RAB9ACYP2C19
SCHEMBL1615173 0.88 CYP2C9 (0.41) MAPTCYP1A2CYP3A4RAB9ACYP2C19
SCHEMBL28557156 0.86 MAPT (0.42) MAPTCYP1A2CYP3A4RAB9ACYP2C19
SCHEMBL26022905 0.83 MAPT (0.42) MAPTCYP1A2CYP3A4RAB9ACYP2C19
SCHEMBL29428465 0.82 MAPT (0.43) MAPTCYP1A2CYP3A4RAB9ACYP2C19
SCHEMBL108341 0.82 MAPT (0.43) MAPTCYP1A2CYP3A4RAB9ACYP2C19
SCHEMBL29353913 0.82 MAPT (0.43) MAPTCYP1A2CYP3A4RAB9ACYP2C19
SCHEMBL14556883 0.82 MAPT (0.45) MAPTCYP1A2CYP3A4RAB9ACYP2C19
SCHEMBL8065203 0.79 POLB (0.42) MAPTCYP1A2CYP3A4RAB9ACYP2C19
SCHEMBL4542129 0.79 MAPT (0.41) MAPTCYP1A2CYP3A4RAB9ACYP2C19

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-1538149-B1 Sulfonium salts as photoinitiators HENKEL AG & CO KGAA (DE) 2010-03-17 EP disclosed
EP-1538149-B1 Sulfonium salts as photoinitiators HENKEL AG & CO KGAA (DE) 2010-03-17 EP disclosed
EP-2112147-A1 Sulfonium salts as photoinitiators Henkel AG & Co. KGaA (DE) 2009-10-28 EP disclosed
EP-2112147-A1 Sulfonium salts as photoinitiators Henkel AG & Co. KGaA (DE) 2009-10-28 EP disclosed
EP-2112146-A1 Sulfonium salt photoinitiators and their use Henkel AG & Co. KGaA (DE) 2009-10-28 EP disclosed
EP-2112146-A1 Sulfonium salt photoinitiators and their use Henkel AG & Co. KGaA (DE) 2009-10-28 EP disclosed
US-7560219-B2 Arylsulfonium salts of 1-halothioxanthones and 2-decyl-1-tetradecyl bromide as an intermediate for their preparation; UV curable adhesives, sealants, coating compositions, such as printing inks and varnishes, and encapsulants HENKEL AG & CO. KGAA (DE) 2009-07-14 US disclosed
US-7560219-B2 Arylsulfonium salts of 1-halothioxanthones and 2-decyl-1-tetradecyl bromide as an intermediate for their preparation; UV curable adhesives, sealants, coating compositions, such as printing inks and varnishes, and encapsulants HENKEL AG & CO. KGAA (DE) 2009-07-14 US disclosed
US-7560219-B2 Arylsulfonium salts of 1-halothioxanthones and 2-decyl-1-tetradecyl bromide as an intermediate for their preparation; UV curable adhesives, sealants, coating compositions, such as printing inks and varnishes, and encapsulants HENKEL AG & CO. KGAA (DE) 2009-07-14 US disclosed
US-20070203254-A1 Arylsulfonium salts of 1-halothioxanthones and 2-decyl-1-tetradecyl bromide as an intermediate for their preparation; UV curable adhesives, sealants, coating compositions, such as printing inks and varnishes, and encapsulants NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2007-08-30 US disclosed
US-20070203254-A1 Arylsulfonium salts of 1-halothioxanthones and 2-decyl-1-tetradecyl bromide as an intermediate for their preparation; UV curable adhesives, sealants, coating compositions, such as printing inks and varnishes, and encapsulants NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2007-08-30 US disclosed
US-20070203254-A1 Arylsulfonium salts of 1-halothioxanthones and 2-decyl-1-tetradecyl bromide as an intermediate for their preparation; UV curable adhesives, sealants, coating compositions, such as printing inks and varnishes, and encapsulants NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2007-08-30 US disclosed
US-7230122-B2 Arylsulfonium salts of 1-halothioxanthones and 2-decyl-1-tetradecyl bromide as an intermediate for their preparation; photocurable adhesive, coating or sealant compositions NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2007-06-12 US disclosed
US-7230122-B2 Arylsulfonium salts of 1-halothioxanthones and 2-decyl-1-tetradecyl bromide as an intermediate for their preparation; photocurable adhesive, coating or sealant compositions NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2007-06-12 US disclosed
US-7230122-B2 Arylsulfonium salts of 1-halothioxanthones and 2-decyl-1-tetradecyl bromide as an intermediate for their preparation; photocurable adhesive, coating or sealant compositions NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2007-06-12 US disclosed
EP-1538149-A2 Sulfonium salts as photoinitiators National Starch and Chemical Investment Holding Corporation (US) 2005-06-08 EP disclosed
US-20050095531-A1 Benzophenones substituted with one or more diarylsulfonium groups, used in photocurable adhesive, coating or sealant compositions, especially photocurable hot melt adhesives and a varnishs HENKEL AG & CO. KGAA (DE) 2005-05-05 US disclosed
US-20050095528-A1 Arylsulfonium salts of 1-halothioxanthones and 2-decyl-1-tetradecyl bromide as an intermediate for their preparation; photocurable adhesive, coating or sealant compositions DISPLAY SOURCE ALLIANCE, LLC 2005-05-05 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-20070203254-A1 Arylsulfonium salts of 1-halothioxanthones and 2-decyl-1-tetradecyl bromide as an intermediate for their preparation; UV curable adhesives, sealants, coating compositions, such as printing inks and varnishes, and encapsulants VCL, DACH1, WDR77 MAPT 347/4885CYP1A2 2386/4885CYP3A4 2418/4885

“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.