SCHEMBL305810

SCHEMBL305810

CCCC(C(=O)OCC)=C(CCC)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GLO1 Q04760 1/20 0.43
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SOAT1 P35610 1/20 0.42
TSHR P16473 2/20 0.41
FAAH O00519 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
FFAR3 O14843 2/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39

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
SCHEMBL305809 1.00 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL10010221 0.93 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL10010219 0.93 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL10010321 0.91 FAAH (0.44) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL10010315 0.91 FAAH (0.44) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL10010195 0.89 FAAH (0.51) ALDH1A1HSD17B10ALOX15TSHRFAAH
SCHEMBL10010191 0.89 FAAH (0.51) ALDH1A1HSD17B10ALOX15TSHRFAAH
SCHEMBL10009443 0.88 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL10009441 0.88 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL10008378 0.87 FAAH (0.54) ALDH1A1HSD17B10ALOX15TSHRFAAH

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 9 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-20120172551-A1 SOLID CATALYST FOR PROPYLENE POLYMERIZATION AND A METHOD FOR PREPARATION OF POLYPROPYLENE USING THE SAME SAMSUNG TOTAL PETROCHEMICALS CO., LTD. (KR) 2012-07-05 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
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
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 372/4885LMNA 1246/4885HSD17B10 450/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA ALDH1A1 372/4885LMNA 1246/4885HSD17B10 450/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ALDH1A1 461/4885LMNA 1157/4885HSD17B10 389/4885

“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.