SCHEMBL3368675

SCHEMBL3368675

O=C(O)c1cccc2cc3ccc4cc5ccccc5cc4c3cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 2/20 0.62
GAA P10253 1/20 0.62
NR4A1 P22736 1/20 0.60
NR4A2 P43354 1/20 0.60
NR4A3 Q92570 1/20 0.60
PTPN1 P18031 1/20 0.56
HSD17B10 Q99714 3/20 0.50
SOS1 Q07889 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
CDC25B P30305 3/20 0.49
GRIN2D O15399 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47

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
SCHEMBL29405887 0.94 ALDH1A1 (0.69) ALDH1A1KDM4EGAANR4A1NR4A2
SCHEMBL123193 0.94 ALDH1A1 (0.69) ALDH1A1KDM4EGAANR4A1NR4A2
SCHEMBL30114921 0.92 ALDH1A1 (0.67) ALDH1A1KDM4EGAANR4A1NR4A2
Fluoride SCHEMBL27928524 0.92 ALDH1A1 (0.67) ALDH1A1KDM4EGAANR4A1NR4A2
Water SCHEMBL27518077 0.92 ALDH1A1 (0.67) ALDH1A1KDM4EGAANR4A1NR4A2
Hydrochloric Acid SCHEMBL8505033 0.92 ALDH1A1 (0.67) ALDH1A1KDM4EGAANR4A1NR4A2
SCHEMBL30632238 0.92 ALDH1A1 (0.67) ALDH1A1KDM4EGAANR4A1NR4A2
SCHEMBL28440750 0.92 ALDH1A1 (0.67) ALDH1A1KDM4EGAANR4A1NR4A2
SCHEMBL5266634 0.92 ALDH1A1 (0.67) ALDH1A1KDM4EGAANR4A1NR4A2
SCHEMBL71261 0.90 PTPN1 (0.66) ALDH1A1KDM4EGAANR4A1NR4A2

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 18 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
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
CN-100418947-C Hybrid onium salts WAKO PURE CHEM IND LTD (JP) 2008-09-17 CN disclosed
EP-1443042-B1 HYBRID ONIUM SALT WAKO PURE CHEM IND LTD (JP) 2008-08-13 EP disclosed
EP-1953149-A2 A heterocycle-containing onium salt Wako Pure Chemical Industries, Ltd. (JP) 2008-08-06 EP 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
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-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 ALDH1A1 261/4885KDM4E 1421/4885GAA 2418/4885
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 ALDH1A1 1190/4885KDM4E 2670/4885GAA 1801/4885
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A ALDH1A1 252/4885KDM4E 2044/4885GAA 1908/4885

“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.