SCHEMBL3221998

SCHEMBL3221998

[CH]=C(C(=O)OCC)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 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
SOAT1 P35610 1/20 0.46
TSHR P16473 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
TRPA1 O75762 1/20 0.42
MAPT P10636 2/20 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
CA12 O43570 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
SCHEMBL3962468 0.87 GLO1 (0.52) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL7262 0.81 ALDH1A1 (0.62) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL9823358 0.81 ALDH1A1 (0.62) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL1331989 0.81 ALDH1A1 (0.62) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL295693 0.80
SCHEMBL7661231 0.78
SCHEMBL7667031 0.78
SCHEMBL5871996 0.78 HCAR2 (0.41) ALDH1A1LMNAGAATSHRSMN1; SMN2
SCHEMBL3688659 0.78
SCHEMBL9751764 0.78 ALDH1A1 (0.59) ALDH1A1LMNAHSD17B10NPSR1GLO1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 US claimed
EP-2086325-A1 PYRIDINE COMPOUNDS FOR COMBATING PESTS BASF SE (DE) 2009-08-12 EP claimed
WO-2008065145-A1 PYRIDINE COMPOUNDS FOR COMBATING PESTS BASF SE (DE) 2008-06-05 WO claimed
EP-1047690-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-11-02 EP claimed
WO-1999032480-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1999-07-01 WO claimed
EP-3800185-B1 METHOD FOR MANUFACTURING SALACINOL FUJIFILM CORP (JP) 2024-02-14 EP disclosed
US-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 US disclosed
EP-2086325-A1 PYRIDINE COMPOUNDS FOR COMBATING PESTS BASF SE (DE) 2009-08-12 EP disclosed
WO-2008065145-A1 PYRIDINE COMPOUNDS FOR COMBATING PESTS BASF SE (DE) 2008-06-05 WO disclosed
US-7071187-B2 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2006-07-04 US disclosed
US-20040214853-A1 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-10-28 US disclosed
EP-1426374-A1 NAPHTHYRIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-06-09 EP disclosed
EP-0234549-B1 METHOD FOR PRODUCTION OF CEPHALOSPORIN COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 1992-12-16 EP disclosed
EP-0187209-B1 PROCESS FOR THE PREPARATION OF CEPHALOSPORINS F. HOFFMANN-LA ROCHE AG (CH) 1992-01-08 EP disclosed
US-4980464-A Method for production of cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-12-25 US disclosed
US-4716227-A Process for manufacturing cephalosporin esters HOFFMANN-LA ROCHE INC. (US) 1987-12-29 US disclosed
EP-0234549-A2 Method for production of cephalosporin compounds Takeda Chemical Industries, Ltd. (JP) 1987-09-02 EP disclosed
EP-0187209-A2 Process for the preparation of cephalosporins F. HOFFMANN-LA ROCHE AG (CH) 1986-07-16 EP disclosed
US-4595532-A N-(substituted-methyl)-azetidin-2-ones UNIVERSITY OF NOTRE DAME DU LAC (US) 1986-06-17 US disclosed
EP-0116432-A2 Improvements in or relating to N-(substituted-methyl)-azetidin-2-ones THE UNIVERSITY OF NOTRE DAME DU LAC (US) 1984-08-22 EP 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-20040214853-A1 Naphthyridine derivatives MT-ND1, OPRD1, NR0B1 ALDH1A1 272/4885LMNA 2666/4885HSD17B10 2101/4885
US-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 ALDH1A1 1958/4885LMNA 3402/4885HSD17B10 3403/4885

“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.