SCHEMBL4490157

SCHEMBL4490157

CC=CCCCOC(=O)OCOC(=O)CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.35
EPHX2 P34913 3/20 0.35
PGR P06401 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
NR1I2 O75469 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4D Q08499 1/20 0.33
HSD17B10 Q99714 3/20 0.32
ALOX15 P16050 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SOAT1 P35610 1/20 0.31
TERT O14746 3/20 0.31
PTPN1 P18031 3/20 0.31
MAPT P10636 2/20 0.31
BLM P54132 2/20 0.31
FABP4 P15090 2/20 0.31
F7 P08709 2/20 0.31

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
SCHEMBL4490155 0.92 FAAH (0.38) FAAHEPHX2PGRADORA3NR1I2
SCHEMBL14775484 0.83 ALDH1A1 (0.40) FAAHEPHX2PGRADORA3NR1I2
SCHEMBL8499196 0.79 FAAH (0.46) FAAHEPHX2PGRADORA3NR1I2
SCHEMBL3790398 0.77 FAAH (0.40) FAAHEPHX2HSD17B10ALOX15ALDH1A1
SCHEMBL9540440 0.74 PGR (0.38) FAAHEPHX2PGRADORA3NR1I2
SCHEMBL27869945 0.71 FAAH (0.40) FAAHEPHX2PGRADORA3NR1I2
SCHEMBL10947979 0.71 ALDH1A1 (0.38) ALOX15ALDH1A1SOAT1PPARGPPARD
SCHEMBL10947988 0.71 ALDH1A1 (0.38) ALOX15ALDH1A1SOAT1PPARGPPARD
SCHEMBL28828234 0.71 NAAA (0.53) FAAHPGRADORA3NR1I2PTGS2
SCHEMBL4487325 0.70 PKM (0.39) EPHX2HSD17B10ALDH1A1TDP1PPARG

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 2277/4885EPHX2 1866/4885PGR 3475/4885

“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.