SCHEMBL3368699

SCHEMBL3368699

O=C(O)c1c(Cl)c(Cl)c(Cl)c2c(Cl)c3c(Cl)c(Cl)c(Cl)c(Cl)c3c(Cl)c12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
DPP4 P27487 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3219539 0.97 HTT (0.39) HTTCES2CES1DPP4ALDH1A1
SCHEMBL27954229 0.83 HTT (0.41) HTTCES2CES1DPP4ALDH1A1
SCHEMBL10718462 0.83 DPP4 (0.37) HTTCES2CES1DPP4ALDH1A1
SCHEMBL11506307 0.83 DPP4 (0.37) HTTCES2CES1DPP4ALDH1A1
SCHEMBL29764029 0.83 DPP4 (0.40) HTTCES2CES1DPP4ALDH1A1
SCHEMBL22133 0.83 DPP4 (0.40) HTTCES2CES1DPP4ALDH1A1
SCHEMBL205832 0.80 HTT (0.45) HTTCES2CES1DPP4ALDH1A1
SCHEMBL29431520 0.80 HTT (0.50) HTTCES2CES1DPP4ALDH1A1
SCHEMBL27772 0.80 HTT (0.50) HTTCES2CES1DPP4ALDH1A1
SCHEMBL6903601 0.77 HTT (0.48) HTTCES2CES1DPP4ALDH1A1

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 HTT 3914/4885CES2 185/4885CES1 180/4885
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 HTT 4356/4885CES2 463/4885CES1 533/4885
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A HTT 4191/4885CES2 121/4885CES1 145/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA HTT 50/4885CES2 2439/4885CES1 4807/4885

“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.