SCHEMBL3811372

SCHEMBL3811372

CC(C)c1cccc2c1c(=O)c1ccccc1[s+]2[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
LMNA P02545 2/20 0.33
KMT2A Q03164 1/20 0.33
FAAH O00519 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MGLL Q99685 1/20 0.33
GABRA1 P14867 3/20 0.32
GABRB2 P47870 2/20 0.32
CYP1A2 P05177 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL472592 0.75 ALDH1A1 (0.41) LMNAKMT2AL3MBTL1CYP3A4HPGD
SCHEMBL6130719 0.72 ABCG2 (0.41) L3MBTL1CYP1A2CYP3A4HPGDTSHR
SCHEMBL29902867 0.72 TNKS (0.38) IKBKETBK1KMT2ACA1CA2
SCHEMBL31730219 0.69 MAOA (0.57) IKBKETBK1LMNAKMT2ACYP1A2
SCHEMBL476564 0.69 MAOA (0.57) IKBKETBK1LMNAKMT2ACYP1A2
SCHEMBL52045 0.68 MAPT (0.50) LMNAKMT2AL3MBTL1CYP1A2CYP3A4
SCHEMBL29675381 0.68 MAPT (0.50) LMNAKMT2AL3MBTL1CYP1A2CYP3A4
SCHEMBL29359906 0.68 MAPT (0.50) LMNAKMT2AL3MBTL1CYP1A2CYP3A4
SCHEMBL27760689 0.68 MAPT (0.50) LMNAKMT2AL3MBTL1CYP1A2CYP3A4
SCHEMBL29950779 0.67 CYP1A2 (0.41) KMT2AGABRA1GABRB2CYP1A2GABRG2

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-1417198-B1 SULFONIUM SALTS AS PHOTOINITIATORS FOR RADIATION CURABLE SYSTEMS LAMBERTI SPA (IT) 2009-08-05 EP disclosed
EP-1480967-B8 FUSED RING COMPOUNDS, AND THEIR USE AS CATIONIC PHOTOINITIATORS SUN CHEMICAL CORP (US) 2008-10-01 EP disclosed
EP-1480967-B1 FUSED RING COMPOUNDS, AND THEIR USE AS CATIONIC PHOTOINITIATORS SUN CHEMICAL CORP (US) 2008-06-04 EP disclosed
US-7230121-B2 Sulfoniun salts, methods for their preparation and use thereof as photoinitiators for radiation curable systems LAMBERTI SPA (IT) 2007-06-12 US disclosed
US-7101998-B2 Fused ring compounds, and their use as cationic photoinitiators SUN CHEMICAL CORPORATION (JP) 2006-09-05 US disclosed
US-20050176969-A1 Novel fused ring compounds, and their use as cationic photoinitiators SUN CHEMICAL CORPORATION 2005-08-11 US disclosed
US-20040242901-A1 Sulfoniun salts, methods for their preparation and use thereof as phtoinitiators for radiation curable systems LAMBERTI SPA (IT) 2004-12-02 US disclosed
EP-1480967-A1 NOVEL FUSED RING COMPOUNDS, AND THEIR USE AS CATIONIC PHOTOINITIATORS SUN CHEMICAL CORPORATION (US) 2004-12-01 EP disclosed
EP-1417198-A2 SULFONIUM SALTS AS PHOTOINITIATORS FOR RADIATION CURABLE SYSTEMS Lamberti Spa (IT) 2004-05-12 EP disclosed
US-6713230-B2 INCLUDES AN ACRYLATED, EPOXIDIZED NOVOLAK PREPOLYMER, PHOTOCURABLE MONOMERS AND AN EPOXY COMPOUND THAT ALSO HAS A VINYL GROUP, AND CLAY NANOCOMPOSITE NAN YA PLASTICS CORPORATION (TW) 2004-03-30 US disclosed
WO-2003072567-A1 NOVEL FUSED RING COMPOUNDS, AND THEIR USE AS CATIONIC PHOTOINITIATORS SUN CHEMICAL CORPORATION (US) 2003-09-04 WO disclosed
WO-2003008404-A2 SULFONIUM SALTS AS PHTOINITIATORS FOR RADIATION CURABLE SYSTEMS LAMBERTI SPA (IT) 2003-01-30 WO disclosed
US-20020136986-A1 Novel photosensitive ink composition CHANG CHI-MING (US) 2002-09-26 US disclosed
US-5858618-A Photopolymerizable resinous composition NAN YA PLASTICS CORPORATION (TW) 1999-01-12 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 (2 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-20040242901-A1 Sulfoniun salts, methods for their preparation and use thereof as phtoinitiators for radiation curable systems ARSA, TST, STS IKBKE 96/4885TBK1 1870/4885LMNA 1125/4885
US-20050176969-A1 Novel fused ring compounds, and their use as cationic photoinitiators SUV39H2, DOT1L, H1-10 IKBKE 3632/4885TBK1 4775/4885LMNA 4096/4885

“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.