SCHEMBL800069

SCHEMBL800069

CCOC(=O)CCc1ccc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
TDP1 Q9NUW8 1/20 0.46
EPHX2 P34913 1/20 0.43
POLB P06746 1/20 0.43
CYP4Z1 Q86W10 1/20 0.43
ALOX5 P09917 1/20 0.42
ABCB1 P08183 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
FAAH O00519 1/20 0.39
APP P05067 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL305587 0.85 CYP4F2 (0.56) CYP4F2CYP4A11EPHX2POLBKDM4E
SCHEMBL9342310 0.83 MAPT (0.50) KDM4EALDH1A1HPGDMAPTL3MBTL1
SCHEMBL5112147 0.83 FFAR4 (0.39) CYP4F2CYP4A11TDP1POLBKDM4E
SCHEMBL25770231 0.82 POLB (0.45) CYP4F2CYP4A11POLBKDM4EALDH1A1
SCHEMBL14546351 0.80 SIGMAR1 (0.33) MAPTL3MBTL1
SCHEMBL306003 0.80 CA12 (0.53) ALOX5
SCHEMBL16436925 0.80 TOP2A (0.44) CYP4F2CYP4A11POLBALOX5ALDH1A1
SCHEMBL10249975 0.79 CYP4F2 (0.52) CYP4F2CYP4A11TDP1EPHX2POLB
SCHEMBL2904671 0.79 ALDH1A1 (0.43) POLBABCB1KDM4EALDH1A1HPGD
Ethyl 3-Phenylpropanoate SCHEMBL7440447 0.78 TDP1 (0.72) CYP4F2CYP4A11TDP1CYP4Z1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 US disclosed
US-8093294-B2 Bacterial infections; effective for recovering the activities of beta-lactam antibiotics; 2-ethyl-3-methylmaleic acid dimethyl ester; maleic acid derivatives and/or dihydrofuranyl derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2012-01-10 US disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 US 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 (3 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-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA CYP4F2 1625/4885CYP4A11 1497/4885TDP1 2860/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA CYP4F2 1625/4885CYP4A11 1497/4885TDP1 2860/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CYP4F2 1614/4885CYP4A11 1459/4885TDP1 3098/4885

“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.