SCHEMBL5843324

SCHEMBL5843324

CC(CC(=O)O)CC(C)(C)COCC(CO)(CO)CO

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 1/20 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
SCHEMBL1894660 0.89 BHMT (0.32) BHMT
2-Ethylhexanoic Acid SCHEMBL18167432 0.86 CA2 (0.48)
SCHEMBL16336808 0.85 CHRM1 (0.37)
SCHEMBL14954376 0.78 CYP1A2 (0.32) BHMT
SCHEMBL868171 0.76
SCHEMBL868959 0.76
SCHEMBL14954311 0.76
SCHEMBL9225222 0.75 BHMT (0.36) BHMT
SCHEMBL1897323 0.75 BHMT (0.36) BHMT
SCHEMBL1894658 0.75 BHMT (0.36) BHMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-9328306-B2 Mixed ester KH NEOCHEM CO., LTD. (JP) 2016-05-03 US disclosed
US-20150001438-A1 MIXED ESTER KH NEOCHEM CO., LTD. (JP) 2015-01-01 US disclosed
US-7018961-B2 Refrigerating machine oil composition for carbon dioxide refrigerant IDEMITSU KOSAN CO., LTD. (JP) 2006-03-28 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 (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 BHMT 2246/4885

“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.