SCHEMBL304578

SCHEMBL304578

CCC(C)OC(=O)C(CCc1ccccc1)=C(CCc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KEAP1 Q14145 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
FFAR1 O14842 2/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
FAAH O00519 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL7061795 0.87 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KEAP1TDP1MEN1
SCHEMBL28054355 0.79 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2KEAP1TDP1MEN1
SCHEMBL7061411 0.79 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KEAP1TDP1MEN1
SCHEMBL9860389 0.78 KEAP1 (0.67) ALDH1A1SMN1; SMN2KEAP1TDP1KMT2A
SCHEMBL9860381 0.78 KEAP1 (0.67) ALDH1A1SMN1; SMN2KEAP1TDP1KMT2A
SCHEMBL10193600 0.78 KEAP1 (0.67) ALDH1A1SMN1; SMN2KEAP1TDP1KMT2A
SCHEMBL11201910 0.76 SMN1; SMN2 (0.51) SMN1; SMN2TDP1KMT2AMAPTRAB9A
SCHEMBL304592 0.76 KEAP1 (0.64) ALDH1A1SMN1; SMN2KEAP1TDP1KMT2A
SCHEMBL304590 0.76 KEAP1 (0.64) ALDH1A1SMN1; SMN2KEAP1TDP1KMT2A
SCHEMBL304579 0.73 L3MBTL1 (0.55) ALDH1A1SMN1; SMN2KEAP1TDP1MEN1

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 ALDH1A1 372/4885SMN1; SMN2 2666/4885KEAP1 1337/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA ALDH1A1 372/4885SMN1; SMN2 2666/4885KEAP1 1337/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ALDH1A1 461/4885SMN1; SMN2 2687/4885KEAP1 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.