SCHEMBL4490155

SCHEMBL4490155

C/C=C/CCCOC(=O)OCOC(=O)CC(=O)OCOC(=O)OCCC/C=C/C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS2 P35354 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SOAT1 P35610 1/20 0.33
MGLL Q99685 1/20 0.33
EPHX2 P34913 2/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL4490157 0.92 FAAH (0.35) FAAHNR1I2PGRADORA3PTGS2
SCHEMBL8499196 0.87 FAAH (0.46) FAAHMGAMGAASIMGAM2
SCHEMBL14775484 0.87 ALDH1A1 (0.40) FAAHNR1I2PGRADORA3PTGS2
SCHEMBL3790398 0.81 FAAH (0.40) FAAHALDH1A1CYP3A4ALOX15TSHR
SCHEMBL10947979 0.75 ALDH1A1 (0.38) ALDH1A1ALOX15SOAT1MGLL
SCHEMBL10947988 0.75 ALDH1A1 (0.38) ALDH1A1ALOX15SOAT1MGLL
SCHEMBL28828234 0.74 NAAA (0.53) FAAHNR1I2PGRADORA3PTGS2
SCHEMBL31548 0.74 ALDH1A1 (0.52) FAAHGAANR1I2PGRADORA3
SCHEMBL9540438 0.74 NR1I2 (0.38) FAAHNR1I2PGRADORA3PTGS2
SCHEMBL9782649 0.74 ALDH1A1 (0.52) FAAHGAANR1I2PGRADORA3

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-7553989-B2 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-30 US disclosed
US-20050272950-A1 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA LTD. (JP) 2005-12-08 US disclosed
EP-1561748-A1 MALONIC ACID MONOESTERS AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2005-08-10 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 (1 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-20050272950-A1 Malonic acid monoesters and process for producing the same ME1, SI, ME3 FAAH 2277/4885MGAM 4/4885GAA 12/4885

“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.