SCHEMBL304577

SCHEMBL304577

CCOC(=O)/C(CCc1ccccc1)=C(/CCc1ccccc1)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.53
KEAP1 Q14145 1/20 0.52
KMT2A Q03164 2/20 0.50
ABCB1 P08183 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 2/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
FFAR1 O14842 1/20 0.48
ALOX5 P09917 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48

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
SCHEMBL304579 1.00 L3MBTL1 (0.55) L3MBTL1TDP1SMN1; SMN2ALDH1A1KEAP1
SCHEMBL28054355 0.95 L3MBTL1 (0.51) L3MBTL1TDP1SMN1; SMN2ALDH1A1KEAP1
SCHEMBL304796 0.89 L3MBTL1 (0.55) L3MBTL1TDP1SMN1; SMN2ALDH1A1KEAP1
SCHEMBL800478 0.89 L3MBTL1 (0.49) L3MBTL1TDP1SMN1; SMN2ALDH1A1KEAP1
SCHEMBL26666242 0.89 L3MBTL1 (0.49) L3MBTL1TDP1SMN1; SMN2ALDH1A1KEAP1
Alcohol SCHEMBL28404120 0.86 L3MBTL1 (0.52) L3MBTL1TDP1SMN1; SMN2ALDH1A1KEAP1
SCHEMBL14390211 0.86 ALDH1A1 (0.47) L3MBTL1TDP1SMN1; SMN2ALDH1A1KEAP1
SCHEMBL7299043 0.83 MAPT (0.53) L3MBTL1TDP1SMN1; SMN2ALDH1A1KEAP1
SCHEMBL8159651 0.83 L3MBTL1 (0.52) L3MBTL1TDP1SMN1; SMN2ALDH1A1KEAP1
SCHEMBL13015860 0.83 L3MBTL1 (0.52) L3MBTL1TDP1SMN1; SMN2ALDH1A1KEAP1

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
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
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-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
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 EP 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 L3MBTL1 1177/4885TDP1 2860/4885SMN1; SMN2 2666/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA L3MBTL1 1177/4885TDP1 2860/4885SMN1; SMN2 2666/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA L3MBTL1 933/4885TDP1 3098/4885SMN1; SMN2 2687/4885

“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.