SCHEMBL3370905

SCHEMBL3370905

O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=c1ccc2ccc([I+]c3ccc4ccc(=O)oc4c3)cc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.39
CA9 Q16790 9/20 0.39
CA12 O43570 8/20 0.39
GLA P06280 7/20 0.39
ALDH1A1 P00352 7/20 0.39
GAA P10253 6/20 0.39
HSD17B10 Q99714 6/20 0.39
HPGD P15428 5/20 0.39
KMT2A Q03164 5/20 0.39
CA1 P00915 4/20 0.39
AKR1B1 P15121 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
MCL1 Q07820 2/20 0.39
ERAP1 Q9NZ08 2/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.36
CYP3A4 P08684 2/20 0.36
ACHE P22303 2/20 0.36

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
SCHEMBL3367831 1.00 KDM4E (0.39) KDM4ECA9CA12GLAALDH1A1
SCHEMBL3371683 0.87 TTR (0.38) KDM4ECA9CA12GLAALDH1A1
SCHEMBL3369444 0.87 TTR (0.38) KDM4ECA9CA12GLAALDH1A1
SCHEMBL3367709 0.83 CA9 (0.39) KDM4ECA9CA12GLAALDH1A1
SCHEMBL3371457 0.81 GLA (0.36) KDM4ECA9CA12GLAALDH1A1
SCHEMBL3370953 0.79 GLA (0.37) KDM4ECA9CA12GLAALDH1A1
Acetic Acid SCHEMBL3371206 0.79 CA9 (0.53) KDM4ECA9CA12GLAALDH1A1
SCHEMBL3518311 0.78 DRD4 (0.40) KDM4ECA9CA12GLAALDH1A1
SCHEMBL3521986 0.78 DRD4 (0.40) KDM4ECA9CA12GLAALDH1A1
SCHEMBL6880932 0.77 CA12 (0.57) KDM4ECA9CA12GLAALDH1A1

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 KDM4E 2670/4885CA9 704/4885CA12 3023/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA KDM4E 2415/4885CA9 1184/4885CA12 2139/4885

“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.