SCHEMBL800478

SCHEMBL800478

CCOC(=O)/C(CCc1ccccc1)=C(\CC)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.46
ALOX5 P09917 1/20 0.46
ABCB1 P08183 1/20 0.45
KEAP1 Q14145 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL304579 0.89 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2TDP1ALDH1A1ALOX5
SCHEMBL304577 0.89 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2TDP1ALDH1A1ALOX5
SCHEMBL26666242 0.88 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2TDP1ALDH1A1ALOX5
SCHEMBL28054355 0.84 L3MBTL1 (0.51) L3MBTL1SMN1; SMN2TDP1ALDH1A1ALOX5
SCHEMBL14390211 0.79 ALDH1A1 (0.47) L3MBTL1SMN1; SMN2TDP1ALDH1A1ALOX5
SCHEMBL304796 0.79 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2TDP1ALDH1A1ALOX5
Alcohol SCHEMBL28404120 0.76 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2TDP1ALDH1A1ALOX5
SCHEMBL8159651 0.76 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2TDP1ALDH1A1ALOX5
SCHEMBL7299043 0.76 MAPT (0.53) L3MBTL1SMN1; SMN2TDP1ALDH1A1ALOX5
SCHEMBL16212254 0.76 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2TDP1ALDH1A1ALOX5

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 L3MBTL1 1177/4885SMN1; SMN2 2666/4885TDP1 2860/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA L3MBTL1 933/4885SMN1; SMN2 2687/4885TDP1 3098/4885

“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.