SCHEMBL3365952

SCHEMBL3365952

O=c1ccc2ccc([I+]c3ccc4ccc(=O)oc4c3)cc2o1.c1ccc([Ga-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.49
CA12 O43570 6/20 0.48
CA9 Q16790 6/20 0.48
CA1 P00915 5/20 0.48
CA3 P07451 4/20 0.48
CA4 P22748 4/20 0.48
CA7 P43166 4/20 0.48
CA14 Q9ULX7 4/20 0.48
CA2 P00918 3/20 0.48
CA5A P35218 3/20 0.48
CA5B Q9Y2D0 2/20 0.48
CA6 P23280 3/20 0.47
MCL1 Q07820 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.47
SOST Q9BQB4 1/20 0.47
MAOB P27338 4/20 0.47
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 3/20 0.44

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
SCHEMBL6880932 0.85 CA12 (0.57) CA12CA9CA1CA3CA4
Hydrochloric Acid SCHEMBL3368089 0.84 CA12 (0.55) CA12CA9CA1CA3CA4
Bromide SCHEMBL3367230 0.84 CA12 (0.55) CA12CA9CA1CA3CA4
SCHEMBL3367847 0.82 CA12 (0.48) DRD4CA12CA9CA1CA3
SCHEMBL3370891 0.79 CA12 (0.46) DRD4CA12CA9CA1CA3
SCHEMBL3368470 0.79 KDM4E (0.51) DRD4CA12CA9CA1CA3
Perchlorate SCHEMBL3367766 0.79 CA12 (0.50) CA12CA9CA1CA3CA4
SCHEMBL3371472 0.78 MAOB (0.52) DRD4CA12CA9CA1CA3
SCHEMBL3369518 0.78 CA12 (0.42) DRD4CA12CA9CA1CA3
SCHEMBL3518843 0.77 DRD4 (0.50) DRD4CA12CA9CA1CA3

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 6 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

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 DRD4 1384/4885CA12 3023/4885CA9 704/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA DRD4 2345/4885CA12 2139/4885CA9 1184/4885

“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.