SCHEMBL800582

SCHEMBL800582

O=C(O)/C(=C/C1CCCC1)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 1/20 0.43
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC6A1 P30531 2/20 0.31
SLC6A11 P48066 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31
HPGD P15428 1/20 0.31
HSD11B1 P28845 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL372495 1.00 GRIK1 (0.43) GRIK1GRIK2CES2CES1HDAC8
SCHEMBL43790 1.00 GRIK1 (0.43) GRIK1GRIK2CES2CES1HDAC8
SCHEMBL7159243 0.98 GRIK1 (0.44) GRIK1GRIK2CES2CES1HDAC8
SCHEMBL16528332 0.98 GRIK1 (0.44) GRIK1GRIK2CES2CES1HDAC8
SCHEMBL865420 0.98 GRIK1 (0.44) GRIK1GRIK2CES2CES1HDAC8
Acrylic Acid SCHEMBL4943661 0.90 LMNA (0.39) GRIK1GRIK2CES2CES1LMNA
Methacrylic Acid SCHEMBL1454970 0.88 GRIK1 (0.37) GRIK1GRIK2CES2CES1
SCHEMBL15927942 0.87 GRIK1 (0.39) GRIK1GRIK2CES2CES1TSHR
SCHEMBL29013577 0.81 CES2 (0.46) GRIK1GRIK2CES2CES1HDAC8
SCHEMBL22164155 0.78 CES2 (0.42) CES2CES1HDAC8HDAC6TSHR

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-9115079-B2 NDM inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-08-25 US disclosed
US-20140221330-A1 NDM INHIBITOR MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-08-07 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 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-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA GRIK1 2255/4885GRIK2 2664/4885CES2 400/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 GRIK1 4072/4885GRIK2 4385/4885CES2 557/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA GRIK1 2469/4885GRIK2 2749/4885CES2 401/4885

“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.