SCHEMBL3365765

SCHEMBL3365765

O=C(O)c1cc(C(Br)(Br)Br)cc(C(Br)(Br)Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
TPMT P51580 3/20 0.44
TP53 P04637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CA3 P07451 1/20 0.44
MAPT P10636 1/20 0.44
SELL P14151 1/20 0.44
HPGD P15428 1/20 0.44
SELP P16109 1/20 0.44
FUT4 P22083 1/20 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
SCHEMBL3367950 0.77 TPMT (0.48) TTRCA12CA1CA2CA7
SCHEMBL3365963 0.77 TPMT (0.46) TTRCA12CA1CA2CA7
SCHEMBL503980 0.77 CES2 (0.70) CES2RXRARXRBRXRGSRD5A2
SCHEMBL501957 0.77 RXRB (0.64) CA12CA1CA2CA7CA9
SCHEMBL3367753 0.77 CA12 (0.54) CA12CA1CA2CA9TP53
SCHEMBL38651902 0.76 LCK (0.65) TTRCA12CA1CA2CA7
Hydrochloric Acid SCHEMBL7485970 0.75 CES2 (0.67) LMNACES2RXRARXRBRXRG
SCHEMBL9935096 0.75 RXRA (0.47) TTRCA12CA1CA2CA7
SCHEMBL5873298 0.75 RXRB (0.62) CA12CA1CA2CA7CA9
SCHEMBL28119413 0.75 CES2 (0.67) LMNACES2RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230176481-A1 FILM-FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2023-06-08 US disclosed
CN-115398342-A Film-forming composition 日产化学株式会社 2022-11-25 CN disclosed
US-8669375-B2 Process for producing ester compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-11 US disclosed
US-20130066070-A1 PROCESS FOR PRODUCING ESTER COMPOUND WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-14 US disclosed
US-8318964-B2 Process for producing ester compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-23 US disclosed
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-1690685-B1 Planographic printing plate precursor FUJIFILM CORP (JP) 2009-04-15 EP disclosed
EP-1481973-B1 HETEROCYCLE-BEARING ONIUM SALTS WAKO PURE CHEM IND LTD (JP) 2008-12-31 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
EP-1690685-A2 Planographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2006-08-16 EP 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 (4 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-20130066070-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A TTR 2073/4885CA12 173/4885CA1 223/4885
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 TTR 4812/4885CA12 3023/4885CA1 1267/4885
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A TTR 2549/4885CA12 114/4885CA1 182/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA TTR 4638/4885CA12 2139/4885CA1 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.