SCHEMBL4673333

SCHEMBL4673333

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 5/20 0.44
TRPA1 O75762 1/20 0.44
HCAR2 Q8TDS4 1/20 0.40
NLRP3 Q96P20 6/20 0.40
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
MAPK10 P53779 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.37

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
SCHEMBL6517132 0.84 HCAR2 (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL81368 0.83
SCHEMBL6519747 0.82 HCAR2 (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1656344 0.80 TSHR (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8895799 0.79 ATM (0.53) ALDH1A1HCAR2NPSR1TSHRHPGD
SCHEMBL4676680 0.79 TSHR (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18233438 0.78 TSHR (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10932207 0.78 LMNA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4676646 0.77 KMT2A (0.32)
SCHEMBL4673453 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 10 patents. 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-1101761-B1 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL CO (JP) 2005-08-17 EP disclosed
US-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients SUMITOMO CHEMICAL COMPANY, LIMITED 2003-11-20 US disclosed
US-6586368-B1 Benzofuran derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 US disclosed
US-6410484-B1 ACTIVE MATERIAL; CONTROLLING WEEDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-6339155-B1 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-15 US disclosed
EP-1112268-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND HERBICIDES CONTAINING THEM SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-07-04 EP disclosed
EP-1101761-A2 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-23 EP disclosed
EP-1095935-A1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-02 EP disclosed
WO-2000015633-A1 CONDENSED HETEROCYLIC COMPOUNDS AND HERBICIDES CONTAINING THEM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-03-23 WO 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 (1 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-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.