SCHEMBL4677300

SCHEMBL4677300

[CH2]C(=O)OCC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
ALDH1A1 P00352 3/20 0.48
TRPA1 O75762 1/20 0.48
NLRP3 Q96P20 7/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALOX15 P16050 1/20 0.40
SOAT1 P35610 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL5151 0.81
SCHEMBL27411503 0.79 ALDH1A1 (0.63) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20774846 0.78
SCHEMBL27853296 0.78
Water SCHEMBL27374315 0.78
SCHEMBL7817957 0.78 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3889777 0.78 ALDH1A1 (0.50) ALDH1A1LMNATSHRNPSR1
SCHEMBL4452995 0.77 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL30494447 0.77 MGAM (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL597392 0.77

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095935-B1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL CO (JP) 2008-12-17 EP disclosed
EP-0850227-B1 PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2008-01-09 EP disclosed
EP-1101761-B1 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL CO (JP) 2005-08-17 EP disclosed
US-6869913-B1 Pyridazin-3-one derivatives, their use and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-03-22 US disclosed
US-6852890-B1 Process for the preparation of phenylhydrazines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-02-08 US disclosed
EP-1137641-B1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL CO (JP) 2004-11-10 EP disclosed
EP-1175393-B1 PROCESS FOR THE PREPARATION OF PHENYLHYDRAZINES SUMITOMO CHEMICAL CO (JP) 2004-06-09 EP disclosed
US-6703503-B2 HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-03-09 US disclosed
US-20040005986-A1 Pyridazin-3-one derivatives, their use, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED 2004-01-08 US disclosed
US-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients SUMITOMO CHEMICAL COMPANY, LIMITED 2003-11-20 US disclosed
US-6090753-A 2-(SUBSTITUTED PHENYL), 5-HALOALKYL-PYRIDAZIN-3-ONE DERIVATIVES AS HERBICIDES; CONTROLLING WEEDS, METHOD OF MAKING BY REACTING A HYDRAZONE DERIVATIVE WITH A SPECIFIED PHOSPHORUS COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2000-07-18 US disclosed
EP-1000925-A1 TRIPHENYLMETHANE DERIVATIVES AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-17 EP disclosed
EP-0934255-A1 PRODUCTION OF PYRIDAZINE HERBICIDES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-11 EP disclosed
EP-0934254-A1 PRODUCTION OF PYRIDAZINE HERBICIDES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-11 EP disclosed
EP-0902029-A1 Pyrimidinone derivatives and herbicides containing them SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-17 EP disclosed
EP-0850227-A1 PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-01 EP disclosed
WO-1998017633-A1 PRODUCTION OF PYRIDAZINE HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-30 WO disclosed
WO-1998017632-A1 PRODUCTION OF PYRIDAZINE HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-30 WO disclosed
WO-1997007104-A1 PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-02-27 WO disclosed
US-4214093-A PROTEOLYTIC ENZYME INHIBITORS TORII & CO., LTD. (JP) 1980-07-22 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 (2 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-20040005986-A1 Pyridazin-3-one derivatives, their use, and intermediates for their production Q6ZSR9, HDHD5, CBR3 GAA 2089/4885MGAM 1182/4885SI 4240/4885
US-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients CBR3, CBR1, HAAO GAA 3021/4885MGAM 2073/4885SI 3331/4885

“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.