SCHEMBL3900832

SCHEMBL3900832

CCC(CCCCOCC(CO)(CO)CO)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.50
MAPK1 P28482 1/20 0.50
SLC1A2 P43004 3/20 0.36
SLC1A1 P43005 3/20 0.36
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
CA1 P00915 4/20 0.35
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL16594095 0.92 CA2 (0.50) CA2MAPK1SLC1A2SLC1A1GRIK1
SCHEMBL16337922 0.88 CHRM1 (0.48) CA2MAPK1SLC1A2SLC1A1GRIK1
SCHEMBL17821138 0.86 CHRM1 (0.47) CA2MAPK1SLC1A2SLC1A1GRIK1
SCHEMBL16338123 0.86 CA2 (0.38) CA2MAPK1
2-Ethylhexanoic Acid SCHEMBL1894896 0.85 CA2 (0.67) CA2MAPK1SLC1A2SLC1A1GRIK1
SCHEMBL17821134 0.85 CA2 (0.37) CA2MAPK1
2-Ethylhexanoic Acid SCHEMBL1899778 0.83 CA2 (0.62) CA2MAPK1SLC1A2SLC1A1GRIK1
SCHEMBL5355106 0.81 CA2 (0.59) CA2MAPK1SLC1A2SLC1A1GRIK1
SCHEMBL9643827 0.78 CA2 (0.66) CA2MAPK1SLC1A2SLC1A1GRIK1
2-Ethylhexanoic Acid SCHEMBL14956400 0.78 CA2 (0.56) CA2MAPK1SLC1A2SLC1A1GRIK1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266788-B2 Refrigerating-machine oil composition and working fluid composition including same for refrigerating machine KH NEOCHEM CO., LTD. (JP) 2019-04-23 US disclosed
US-20170198236-A1 Refrigerating-Machine Oil Composition and Working Fluid Composition Including Same for Refrigerating Machine KH NEOCHEM CO., LTD. (JP) 2017-07-13 US disclosed
EP-1018538-B1 REFRIGERATOR FLUID COMPOSITION NIPPON MITSUBISHI OIL CORP (JP) 2017-03-22 EP disclosed
US-9546334-B2 Refrigerating machine oil, and working fluid composition for refrigerating machine which is produced using same KH NEOCHEM CO., LTD. (JP) 2017-01-17 US disclosed
US-9523058-B2 Mixed ester KH NEOCHEM CO., LTD. (JP) 2016-12-20 US disclosed
US-20160168500-A1 Refrigerating Machine Oil, and Working Fluid Composition for Refrigerating Machine Which is Produced Using Same KH NEOCHEM CO., LTD. (JP) 2016-06-16 US disclosed
US-20150090921-A1 MIXED ESTER KH NEOCHEM CO., LTD. (JP) 2015-04-02 US disclosed
EP-1063279-B1 Refrigerator oil for carbon dioxide refrigerant, and method of using it for lubrication IDEMITSU KOSAN CO (JP) 2014-07-02 EP disclosed
EP-0693546-B2 Refrigerator oil and fluid composition for refrigerator NIPPON MITSUBISHI OIL CORP (JP) 2009-03-18 EP disclosed
US-7018961-B2 Refrigerating machine oil composition for carbon dioxide refrigerant IDEMITSU KOSAN CO., LTD. (JP) 2006-03-28 US disclosed
US-6815402-B2 ONE COMPOUND SELECTED FROM SPECIFIC CYCLIC ORGANIC PHOSPHORUS THE LUBRICATING OIL COMPOSITION EXHIBITS EXCELLENT EXTREME PRESSURE PROPERTY, SEIZURE RESISTANCE AND WEAR RESISTANCE AND IS ADVANTAGEOUSLY USED AS BEARING OIL, GEAR OIL, HYDRAULIC OIL IDEMITSU KOSAN CO., LTD. (JP) 2004-11-09 US disclosed
EP-0693546-B1 Refrigerator oil and fluid composition for refrigerator NIPPON MITSUBISHI OIL CORP (JP) 2004-03-31 EP disclosed
US-6306803-B1 OXYGEN CONTAINING ORGANIC COMPONENT AND METAL SALT OF CARBOXYLIC ACID IDEMITSU KOSAN CO., LTD. (JP) 2001-10-23 US disclosed
EP-1018538-A1 REFRIGERATOR OIL COMPOSITION AND REFRIGERATOR FLUID COMPOSITION Nippon Mitsubishi Oil Corporation (JP) 2000-07-12 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-20160168500-A1 Refrigerating Machine Oil, and Working Fluid Composition for Refrigerating Machine Which is Produced Using Same DAGLA, ELOVL1, THPO CA2 3702/4885MAPK1 2636/4885SLC1A2 4840/4885

“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.