SCHEMBL4679686

SCHEMBL4679686

C[C](C)C(=O)OCCC(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CYP19A1 P11511 1/20 0.44
MAPK1 P28482 3/20 0.42
PKM P14618 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.40
PPARG P37231 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
ACHE P22303 1/20 0.38
ALOX15 P16050 1/20 0.37
LMNA P02545 1/20 0.37
CHRNB2 P17787 3/20 0.36
CHRNA4 P43681 3/20 0.36

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
SCHEMBL4406722 0.87 CA1 (0.50) CA1CA12CA2CA9CYP19A1
SCHEMBL4675867 0.86 TSHR (0.38) CA1CA12CA2CA9CYP19A1
SCHEMBL996968 0.86 CA1 (0.45) CA1CA12CA2CA9CYP19A1
SCHEMBL29220138 0.86 CA1 (0.45) CA1CA12CA2CA9CYP19A1
Ethane SCHEMBL27501723 0.84 CA1 (0.43) CA1CA12CA2CA9CYP19A1
SCHEMBL26670101 0.84 CA1 (0.43) CA1CA12CA2CA9CYP19A1
SCHEMBL16047302 0.83 CA1 (0.46) CA1CA12CA2CA9CYP19A1
SCHEMBL41669 0.82 TSHR (0.63) CA1CA12CA2CA9CYP19A1
SCHEMBL5503276 0.81 CA1 (0.45) CA1CA12CA2CA9CYP19A1
Hydrochloric Acid SCHEMBL28241624 0.81 ALOX15 (0.50) CA1CA12CA2CA9CYP19A1

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 CA1 730/4885CA12 2025/4885CA2 122/4885

“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.