SCHEMBL4444616

SCHEMBL4444616

CCOC(=O)CCOC([O])=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 5/20 0.46
TRPA1 O75762 1/20 0.46
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PTGS2 P35354 1/20 0.40
PDE4D Q08499 1/20 0.40
DGKA P23743 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL2909701 0.81 ALDH1A1 (0.59) GAAMGAMSIMGAM2CYP1A2
SCHEMBL10924595 0.81 GAA (0.50) GAAMGAMSIMGAM2CYP1A2
SCHEMBL27649244 0.81 CYP1A2 (0.61) GAAMGAMSIMGAM2CYP1A2
SCHEMBL4444617 0.81 GAA (0.50) GAAMGAMSIMGAM2CYP1A2
SCHEMBL14733228 0.81 ALDH1A1 (0.62) GAAMGAMSIMGAM2CYP1A2
SCHEMBL27592534 0.81 ALDH1A1 (0.50) GAAMGAMSIMGAM2CYP1A2
SCHEMBL6817948 0.80 GAA (0.55) GAAMGAMSIMGAM2CYP1A2
SCHEMBL2909699 0.79 CYP1A2 (0.48) GAAMGAMSIMGAM2CYP1A2
SCHEMBL11761888 0.79 CYP1A2 (0.48) GAAMGAMSIMGAM2CYP1A2
SCHEMBL29103304 0.79 ALOX15 (0.61) GAAMGAMSIMGAM2CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629494-B2 Process for producing cyclopropylphenol derivative MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-08 US disclosed
US-20090054681-A1 Production Process of cyclopropylphenol derivatives SANKYO AGRO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
EP-1880987-A1 PROCESS FOR PRODUCING CYCLOPROPYLPHENOL DERIVATIVE Sankyo Agro Company, Limited (JP) 2008-01-23 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-20090054681-A1 Production Process of cyclopropylphenol derivatives CBR3, CYP4X1, CYP4A11 GAA 2856/4885MGAM 2511/4885SI 4274/4885

“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.