SCHEMBL3365802

SCHEMBL3365802

FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.O=c1ccc2ccc([I+]c3ccc4ccc(=O)oc4c3)cc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.44
KDM4E B2RXH2 5/20 0.40
HSD17B10 Q99714 4/20 0.40
ACHE P22303 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
MAOA P21397 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA12 O43570 10/20 0.39
CA9 Q16790 10/20 0.39
CA1 P00915 8/20 0.39
ALDH1A1 P00352 4/20 0.39
MCL1 Q07820 4/20 0.39
GLA P06280 3/20 0.39
AKR1B1 P15121 3/20 0.39
HPGD P15428 3/20 0.39
GAA P10253 3/20 0.39

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
SCHEMBL3368561 0.86 PGR (0.39) PGRKDM4EHSD17B10CYP3A4CYP2D6
SCHEMBL5045519 0.83 PGR (0.45) PGRKDM4EHSD17B10ACHECYP3A4
SCHEMBL3371848 0.81 PGR (0.39) PGRKDM4EHSD17B10ACHECYP3A4
SCHEMBL3368470 0.80 KDM4E (0.51) PGRKDM4EHSD17B10ACHECYP3A4
SCHEMBL6880932 0.80 CA12 (0.57) KDM4EHSD17B10ACHECYP3A4CYP2D6
SCHEMBL3367847 0.79 CA12 (0.48) PGRKDM4EHSD17B10ACHECYP3A4
Hydrochloric Acid SCHEMBL3368089 0.78 CA12 (0.55) KDM4EHSD17B10ACHECYP3A4CYP2D6
Bromide SCHEMBL3367230 0.78 CA12 (0.55) KDM4EHSD17B10ACHECYP3A4CYP2D6
SCHEMBL3367171 0.77 PGR (0.40) PGRKDM4EHSD17B10ACHECYP3A4
SCHEMBL3370891 0.77 CA12 (0.46) PGRKDM4EHSD17B10ACHECYP3A4

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-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 PGR 306/4885KDM4E 2670/4885HSD17B10 1394/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA PGR 1629/4885KDM4E 2415/4885HSD17B10 1400/4885

“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.