SCHEMBL4680192

SCHEMBL4680192

CCC(=O)OC(C)(C)C(=O)OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.44
EPHX1 P07099 2/20 0.42
CYP19A1 P11511 3/20 0.41
HTT P42858 3/20 0.38
CYP2C19 P33261 1/20 0.37
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CHRM3 P20309 6/20 0.33
CHRM2 P08172 3/20 0.33
CHRM1 P11229 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CHRM4 P08173 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
HRH1 P35367 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL7061465 0.98 NAAA (0.45) NAAAEPHX1CYP19A1HTTCYP2C19
SCHEMBL23334601 0.97 NAAA (0.40) NAAAEPHX1CYP19A1HTTCYP2C19
SCHEMBL7820726 0.85 CYP19A1 (0.40) NAAAEPHX1CYP19A1HTTCYP2C19
SCHEMBL24160915 0.83 NAAA (0.45) NAAAEPHX1CYP19A1HTTCYP2C19
SCHEMBL4675444 0.80 CYP19A1 (0.44) NAAAEPHX1CYP19A1HTTCYP2C19
SCHEMBL23323285 0.80 CYP19A1 (0.44) NAAAEPHX1CYP19A1HTTCYP2C19
SCHEMBL4675441 0.80 CYP19A1 (0.44) NAAAEPHX1CYP19A1HTTCYP2C19
SCHEMBL17752194 0.80 EPHX1 (0.44) NAAAEPHX1CYP19A1HTTCYP2C19
SCHEMBL3709223 0.79 CYP19A1 (0.46) NAAAEPHX1CYP19A1HTTCYP2C19
SCHEMBL7064390 0.79 CYP19A1 (0.46) NAAAEPHX1CYP19A1HTTCYP2C19

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-3816268-A1 ISOBUTYRIC ESTER COMPOUND HAVING PROPANOYLOXY GROUP AT ? POSITION, PERFUME COMPOSITION, AND USE AS PERFUME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-05-05 EP disclosed
EP-3816268-A1 ISOBUTYRIC ESTER COMPOUND HAVING PROPANOYLOXY GROUP AT ? POSITION, PERFUME COMPOSITION, AND USE AS PERFUME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-05-05 EP disclosed
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 NAAA 367/4885EPHX1 236/4885CYP19A1 951/4885

“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.