SCHEMBL306178

SCHEMBL306178

Cc1ccccc1CCC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
LMNA P02545 2/20 0.51
PTGER4 P35408 2/20 0.51
PTGER3 P43115 2/20 0.51
PTGER2 P43116 2/20 0.51
PTGER1 P34995 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL6669272 0.86 NPC1 (0.52) ALDH1A1MAPK1L3MBTL1TDP1CYP4F2
SCHEMBL7060854 0.85 PTGER4 (0.49) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL10716907 0.84 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL13948404 0.83 CYP4F2 (0.73) ALDH1A1TDP1CYP4F2CYP4A11LMNA
SCHEMBL28662041 0.83 TDP1 (0.54) ALDH1A1MAPK1L3MBTL1TDP1CYP4F2
SCHEMBL25310377 0.82 POLB (0.53) ALDH1A1MAPK1L3MBTL1TDP1NPC1
SCHEMBL22513148 0.81 CYP4F2 (0.50) ALDH1A1MAPK1L3MBTL1TDP1CYP4F2
SCHEMBL16672131 0.81 NPC1 (0.55) ALDH1A1L3MBTL1LMNAPTGER4PTGER3
SCHEMBL304176 0.81 TDP1 (0.78) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL24405103 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1CYP4F2

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 6 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
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 ALDH1A1 372/4885MAPK1 2838/4885L3MBTL1 1177/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA ALDH1A1 372/4885MAPK1 2838/4885L3MBTL1 1177/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ALDH1A1 461/4885MAPK1 2855/4885L3MBTL1 933/4885

“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.