SCHEMBL3368433

SCHEMBL3368433

O=C(O)c1ccc(OC(Br)(Br)Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
TSHR P16473 5/20 0.57
TP53 P04637 1/20 0.57
HSD17B10 Q99714 3/20 0.56
ALDH1A1 P00352 2/20 0.56
PARP15 Q460N3 1/20 0.52
PARP10 Q53GL7 1/20 0.52
KMT2A Q03164 1/20 0.52
SRD5A2 P31213 2/20 0.50
PKM P14618 1/20 0.50
FAAH O00519 1/20 0.49
EPHX2 P34913 1/20 0.49
CA12 O43570 1/20 0.48
CA3 P07451 1/20 0.48
TYR P14679 1/20 0.48
DRD1 P21728 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48

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
SCHEMBL3365939 0.85 CA1 (0.52) CA1CA2TSHRTP53HSD17B10
SCHEMBL27867240 0.85 CA1 (0.57) CA1CA2TSHRTP53HSD17B10
SCHEMBL3367840 0.84 CA1 (0.56) CA1CA2TSHRTP53HSD17B10
SCHEMBL219654 0.82 EPHX2 (0.68) CA1CA2TSHRTP53HSD17B10
SCHEMBL3365915 0.82 CA1 (0.54) CA1CA2TSHRTP53HSD17B10
SCHEMBL29385898 0.82 CA1 (0.59) CA1CA2TSHRTP53HSD17B10
SCHEMBL322440 0.82 CA1 (0.59) CA1CA2TSHRTP53HSD17B10
SCHEMBL9171619 0.81 TSHR (0.57) CA1CA2TSHRTP53HSD17B10
Hydrochloric Acid SCHEMBL8086285 0.80 EPHX2 (0.66) CA1CA2TSHRTP53HSD17B10
Hydrochloric Acid SCHEMBL11858713 0.80 CA1 (0.52) CA1CA2TSHRTP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CA1 223/4885CA2 892/4885TSHR 2444/4885
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 CA1 1267/4885CA2 293/4885TSHR 1685/4885
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A CA1 182/4885CA2 742/4885TSHR 2452/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA CA1 1258/4885CA2 430/4885TSHR 3574/4885

“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.