SCHEMBL304714

SCHEMBL304714

CCOC(=O)C(CC)=C(CC)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.52
ALDH1A1 P00352 6/20 0.50
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
GLO1 Q04760 1/20 0.46
ALOX15 P16050 1/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
TSHR P16473 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
TRPA1 O75762 1/20 0.42
MAPT P10636 3/20 0.41
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 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
SCHEMBL304712 1.00 SOAT1 (0.52) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL11146140 1.00 SOAT1 (0.52) SOAT1ALDH1A1LMNAHSD17B10NPSR1
Ammonia Solution, Strong SCHEMBL29049234 0.97 SOAT1 (0.50) SOAT1ALDH1A1LMNAHSD17B10NPSR1
Ammonia Solution, Strong SCHEMBL4866860 0.97 SOAT1 (0.50) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL17222827 0.97 SOAT1 (0.50) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL7770885 0.90 SOAT1 (0.44) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL7772621 0.90 SOAT1 (0.44) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL11141870 0.90 GAA (0.44) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL11147100 0.90 GAA (0.44) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL7770890 0.90 SOAT1 (0.44) SOAT1ALDH1A1LMNAHSD17B10NPSR1

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 11 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
US-4836844-A HERBICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-06-06 US disclosed
US-4383053-A Antifouling paints having fumaric acid ester polymer NIPPON OIL AND FATS CO., LTD. (JP) 1983-05-10 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 SOAT1 1584/4885ALDH1A1 372/4885LMNA 1246/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA SOAT1 1584/4885ALDH1A1 372/4885LMNA 1246/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA SOAT1 1501/4885ALDH1A1 461/4885LMNA 1157/4885

“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.