SCHEMBL4680187

SCHEMBL4680187

C[CH]C(=O)OC(C)(C)C(=O)OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
CHRM3 P20309 9/20 0.35
EPHX1 P07099 2/20 0.35
NAAA Q02083 2/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 3/20 0.31
SLC22A1 O15245 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL7061462 0.98 CYP19A1 (0.43) CYP19A1CHRM3EPHX1NAAAHTT
SCHEMBL4675444 0.80 CYP19A1 (0.44) CYP19A1CHRM3EPHX1NAAAHTT
SCHEMBL4675441 0.80 CYP19A1 (0.44) CYP19A1CHRM3EPHX1NAAAHTT
SCHEMBL23323285 0.80 CYP19A1 (0.44) CYP19A1CHRM3EPHX1NAAAHTT
SCHEMBL3709223 0.79 CYP19A1 (0.46) CYP19A1CHRM3EPHX1NAAAHTT
SCHEMBL7064390 0.79 CYP19A1 (0.46) CYP19A1CHRM3EPHX1NAAAHTT
SCHEMBL4679499 0.77 EPHX1 (0.44) CYP19A1EPHX1NAAAHTTNPC1
SCHEMBL24378724 0.77 CYP19A1 (0.41) CYP19A1CHRM3EPHX1NAAAHTT
SCHEMBL23292966 0.76 CYP19A1 (0.41) CYP19A1CHRM3EPHX1NAAAHTT
SCHEMBL4680192 0.76 NAAA (0.44) CYP19A1CHRM3EPHX1NAAAHTT

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 8 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-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

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 CYP19A1 951/4885CHRM3 798/4885EPHX1 236/4885

“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.