SCHEMBL3370891

SCHEMBL3370891

O=c1ccc2ccc([I+]c3ccccc3)cc2o1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.46
CA9 Q16790 5/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 3/20 0.46
CA3 P07451 3/20 0.46
CA4 P22748 3/20 0.46
CA7 P43166 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA5A P35218 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
MAOB P27338 4/20 0.45
CA6 P23280 2/20 0.45
MCL1 Q07820 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 1/20 0.45
SOST Q9BQB4 1/20 0.45
PGR P06401 4/20 0.44
DRD4 P21917 6/20 0.43
MAOA P21397 2/20 0.43
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL3367847 0.97 CA12 (0.48) CA12CA9CA1CA2CA3
SCHEMBL3370898 0.92 ALDH1A1 (0.43) CA12CA9CA1CA2CA3
SCHEMBL3370916 0.84 TTR (0.42) CA12CA9CA1CA2CA3
SCHEMBL6880932 0.83 CA12 (0.57) CA12CA9CA1CA2CA3
Trifluoromethanesulfonic Acid SCHEMBL3367494 0.81 MAOB (0.43) CA12CA9CA1CA2CA3
Bromide SCHEMBL3367230 0.81 CA12 (0.55) CA12CA9CA1CA2CA3
Hydrochloric Acid SCHEMBL3368089 0.81 CA12 (0.55) CA12CA9CA1CA2CA3
SCHEMBL3368470 0.80 KDM4E (0.51) CA12CA9CA1CA2CA3
SCHEMBL3365952 0.79 DRD4 (0.49) CA12CA9CA1CA2CA3
SCHEMBL3371472 0.79 MAOB (0.52) CA12CA9CA1CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833691-B2 Heterocycle-bearing onium salts WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-11-16 US disclosed
EP-1953149-B1 A heterocycle-containing onium salt WAKO PURE CHEM IND LTD (JP) 2010-10-06 EP disclosed
EP-1953149-A2 A heterocycle-containing onium salt Wako Pure Chemical Industries, Ltd. (JP) 2008-08-06 EP disclosed
US-20080161520-A1 Heterocycle-bearing onium salts WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-07-03 US disclosed
US-7318991-B2 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-15 US disclosed
US-20050233253-A1 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 2005-10-20 US disclosed
EP-1481973-A1 HETEROCYCLE-BEARING ONIUM SALTS Wako Pure Chemical Industries, Ltd. (JP) 2004-12-01 EP 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-20050233253-A1 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether NOX4, CBR1, CBR3 CA12 3023/4885CA9 704/4885CA1 1267/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA CA12 2139/4885CA9 1184/4885CA1 1258/4885

“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.