SCHEMBL800576

SCHEMBL800576

O=C(O)/C(=C/CCc1ccccc1)CCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.64
GPR52 Q9Y2T5 2/20 0.54
KEAP1 Q14145 1/20 0.53
ALDH1A1 P00352 2/20 0.50
FFAR1 O14842 2/20 0.50
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL10912747 0.85 GRIK1 (0.64) GRIK1GPR52KEAP1ALDH1A1FFAR1
SCHEMBL800742 0.85 KEAP1 (0.53) GRIK1GPR52KEAP1ALDH1A1FFAR1
SCHEMBL9380744 0.84 GRIK1 (0.62) GRIK1GPR52KEAP1ALDH1A1HDAC2
SCHEMBL8166222 0.81 ALDH1A1 (0.59) GRIK1GPR52KEAP1ALDH1A1FFAR1
SCHEMBL9009723 0.81 ALDH1A1 (0.59) GRIK1GPR52KEAP1ALDH1A1FFAR1
SCHEMBL166472 0.79 KEAP1 (0.55) GRIK1GPR52KEAP1ALDH1A1FFAR1
SCHEMBL10899478 0.79 KEAP1 (0.55) GRIK1GPR52KEAP1ALDH1A1FFAR1
SCHEMBL2682990 0.79 KEAP1 (0.55) GRIK1GPR52KEAP1ALDH1A1FFAR1
SCHEMBL22607727 0.79 GRIK1 (0.56) GRIK1GPR52KEAP1ALDH1A1FFAR1
SCHEMBL8218335 0.79 GRIK1 (0.56) GRIK1GPR52KEAP1ALDH1A1FFAR1

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 2255/4885GPR52 2972/4885KEAP1 1337/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 GRIK1 4072/4885GPR52 4098/4885KEAP1 204/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA GRIK1 2469/4885GPR52 3014/4885KEAP1 1482/4885

“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.