SCHEMBL3370907

SCHEMBL3370907

O=C(O)c1c(C(Cl)(Cl)Cl)cccc1C(Cl)(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
TSHR P16473 4/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 2/20 0.38
DAO P14920 2/20 0.38
PBRM1 Q86U86 1/20 0.38
DPP4 P27487 1/20 0.37
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 2/20 0.36
ACMSD Q8TDX5 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL3368712 0.78 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL504216 0.76 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL3371220 0.76 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL7854316 0.76 GLRA3 (0.54) CA12CA1CA2CA7CA9
SCHEMBL3370858 0.74 GLRA3 (0.38) CA12CA1CA2CA7CA9
SCHEMBL2109549 0.74 ALDH1A1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL3369494 0.74 HSD17B10 (0.53) TSHRALDH1A1CYP1A2KDM4ETDP1
SCHEMBL4645833 0.74 TSHR (0.48) CA12CA1CA2CA7CA9
SCHEMBL18243071 0.73 CA2 (0.37) CA2TSHRALDH1A1TDP1
SCHEMBL784920 0.73 TYK2 (0.55) ALDH1A1DPP4CYP2C19

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 15 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

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 CA12 173/4885CA1 223/4885CA2 892/4885
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 CA12 3023/4885CA1 1267/4885CA2 293/4885
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A CA12 114/4885CA1 182/4885CA2 742/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA CA12 2139/4885CA1 1258/4885CA2 430/4885

“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.