SCHEMBL800059

SCHEMBL800059

COC(=O)C(CN1CCCCC1)=C(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 2/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL304625 0.87 ALDH1A1 (0.45) ALDH1A1TDP1HTTGAASMN1; SMN2
SCHEMBL304623 0.87 ALDH1A1 (0.45) ALDH1A1TDP1HTTGAASMN1; SMN2
SCHEMBL14140962 0.83 ALDH1A1 (0.42) ALDH1A1TDP1HTTGAASMN1; SMN2
SCHEMBL800592 0.81 KDM4E (0.35) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL30934386 0.76 ALDH1A1 (0.47) ALDH1A1TDP1HTTGAASMN1; SMN2
SCHEMBL65325 0.74 ALDH1A1 (0.53) ALDH1A1TDP1HTTGAASMN1; SMN2
Hydrochloric Acid SCHEMBL27501008 0.72 ALDH1A1 (0.56) ALDH1A1TDP1HTTGAASMN1; SMN2
Hydrochloric Acid SCHEMBL28645405 0.72 ALDH1A1 (0.56) ALDH1A1TDP1HTTGAASMN1; SMN2
SCHEMBL65441 0.71 ALDH1A1 (0.50) ALDH1A1TDP1HTTGAASMN1; SMN2
SCHEMBL12226479 0.71 GAA (0.56) ALDH1A1TDP1HTTGAASMN1; SMN2

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ALDH1A1 372/4885TDP1 2860/4885HTT 4870/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ALDH1A1 461/4885TDP1 3098/4885HTT 4875/4885

“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.