SCHEMBL4444760

SCHEMBL4444760

[O]C(=O)c1ccc(F)c(F)c1F

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 10/20 0.70
CES1 P23141 10/20 0.70
BCHE P06276 1/20 0.43
ALDH1A1 P00352 2/20 0.36
MAP2K2 P36507 2/20 0.34
MAP2K1 Q02750 2/20 0.34
EPHX2 P34913 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ASPH Q12797 1/20 0.33
KDM8 Q8N371 1/20 0.33
DGAT1 O75907 1/20 0.33
ALOX15 P16050 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1760850 0.82 CES2 (0.73) CES2CES1BCHEALDH1A1MAP2K2
SCHEMBL241797 0.80 CES2 (0.70) CES2CES1BCHEALDH1A1MAP2K2
SCHEMBL7744985 0.80 CES2 (0.70) CES2CES1BCHEALDH1A1MAP2K2
SCHEMBL5301076 0.78 CES2 (0.67) CES2CES1BCHEALDH1A1MAP2K2
SCHEMBL1003016 0.78 CES2 (0.67) CES2CES1BCHEALDH1A1MAP2K2
SCHEMBL30954397 0.78 CES2 (0.67) CES2CES1BCHEALDH1A1MAP2K2
SCHEMBL671906 0.78 CES2 (0.67) CES2CES1BCHEALDH1A1HPGD
SCHEMBL7445318 0.78 CES2 (0.67) CES2CES1BCHEALDH1A1MAP2K2
Hydrochloric Acid SCHEMBL4730575 0.78 CES2 (0.67) CES2CES1BCHEALDH1A1MAP2K2
SCHEMBL6718922 0.78 CES2 (0.67) CES2CES1BCHEALDH1A1MAP2K2

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 CES2 993/4885CES1 2320/4885BCHE 4242/4885

“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.