SCHEMBL304962

SCHEMBL304962

COC(=O)C(Cc1ccc(O)cc1)=C(C(=O)OC)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
CA2 P00918 4/20 0.42
CAMK2A Q9UQM7 1/20 0.42
MIF P14174 1/20 0.40
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
POLB P06746 1/20 0.38
CA1 P00915 2/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
SLC6A2 P23975 1/20 0.36
KDM4E B2RXH2 1/20 0.36
F13A1 P00488 1/20 0.36
CTBP2 P56545 1/20 0.36

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
SCHEMBL304960 1.00 ESR1 (0.42) ESR1ESR2CA2CAMK2AMIF
SCHEMBL304057 0.88 CYP4F2 (0.39) HTTLMNAPOLB
SCHEMBL304058 0.88 CYP4F2 (0.39) HTTLMNAPOLB
SCHEMBL304844 0.85 ALDH1A1 (0.42) CA2POLBCA1
SCHEMBL304846 0.85 ALDH1A1 (0.42) CA2POLBCA1
SCHEMBL800606 0.84 ESR1 (0.42) ESR1ESR2CA2CAMK2AMIF
SCHEMBL305320 0.84 ALDH1A1 (0.41) MIFHTTLMNAPOLB
SCHEMBL304341 0.84 PARP10 (0.41) CA2CA1
SCHEMBL305322 0.84 ALDH1A1 (0.41) MIFHTTLMNAPOLB
SCHEMBL304343 0.84 PARP10 (0.41) CA2CA1

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 ESR1 2946/4885ESR2 2409/4885CA2 313/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA ESR1 2946/4885ESR2 2409/4885CA2 313/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ESR1 2854/4885ESR2 2405/4885CA2 355/4885

“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.