SCHEMBL3369494

SCHEMBL3369494

O=C(O)c1c(C(Cl)(Cl)Cl)ccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.53
HPGD P15428 4/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GLA P06280 2/20 0.53
WDR5 P61964 1/20 0.46
METAP2 P50579 2/20 0.45
METAP1 P53582 1/20 0.45
LDHA P00338 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
CDC25B P30305 1/20 0.43
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL3367515 0.85 ALDH1A1 (0.53) HSD17B10HPGDALDH1A1KDM4ECYP1A2
SCHEMBL3371673 0.84 HSD17B10 (0.55) HSD17B10HPGDALDH1A1KDM4ECYP1A2
SCHEMBL974719 0.82 HSD17B10 (0.53) HSD17B10HPGDALDH1A1KDM4ECYP1A2
SCHEMBL3370877 0.82 HPGD (0.53) HSD17B10HPGDALDH1A1KDM4ECYP1A2
SCHEMBL3369592 0.82 HPGD (0.53) HSD17B10HPGDALDH1A1KDM4ECYP1A2
SCHEMBL8878613 0.81 HSD17B10 (0.52) HSD17B10HPGDALDH1A1KDM4ECYP1A2
SCHEMBL3367443 0.78 KMT2A (0.58) HSD17B10HPGDALDH1A1KDM4ECYP1A2
SCHEMBL1809752 0.77 HSD17B10 (0.61) HSD17B10HPGDALDH1A1KDM4ECYP1A2
SCHEMBL7653548 0.77 KDM4E (0.47) HSD17B10HPGDALDH1A1KDM4ECYP1A2
SCHEMBL27782235 0.77 KDM4E (0.47) HSD17B10HPGDALDH1A1KDM4ECYP1A2

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 26 patents — showing the first 20. 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
CN-1854133-B Heterocycle-bearing onium salts WAKO PURE CHEM IND LTD 2010-11-10 CN 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
CN-100475803-C Heterocyclic onium salt WAKO PURE CHEM IND LTD (JP) 2009-04-08 CN disclosed
EP-1481973-B1 HETEROCYCLE-BEARING ONIUM SALTS WAKO PURE CHEM IND LTD (JP) 2008-12-31 EP disclosed
CN-1854133-A Heterocycle-bearing onium salts WAKO PURE CHEM IND LTD (JP) 2006-11-01 CN disclosed
US-7101918-B2 Hybrid type onium salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-09-05 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
CN-1678574-A Process for producing aminoalkylsulfonic acid and method of salt exchange for salt thereof WAKO PURE CHEM IND LTD (JP) 2005-10-05 CN disclosed
CN-1622943-A Heterocyclic onium salt WAKO PURE CHEM IND LTD (JP) 2005-06-01 CN disclosed
CN-1578766-A Hybrid onium salt WAKO PURE CHEM IND LTD (JP) 2005-02-09 CN disclosed
US-20050020710-A1 Hybrid onium salt WAKO PURE CHEMICALS INDUSTRIES, LTD. (JP) 2005-01-27 US disclosed
EP-1481973-A1 HETEROCYCLE-BEARING ONIUM SALTS Wako Pure Chemical Industries, Ltd. (JP) 2004-12-01 EP disclosed
EP-1443042-A1 HYBRID ONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2004-08-04 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 (3 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 HSD17B10 47/4885HPGD 2165/4885ALDH1A1 261/4885
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 HSD17B10 1394/4885HPGD 1227/4885ALDH1A1 1190/4885
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A HSD17B10 32/4885HPGD 1953/4885ALDH1A1 252/4885

“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.