SCHEMBL5513339

SCHEMBL5513339

CCC(C)OC(=O)C1CCCCC1C(=O)OC(C)CC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CTSK P43235 6/20 0.37
CTSL P07711 3/20 0.37
CTSB P07858 3/20 0.37
CTSH P09668 2/20 0.37
EPHX1 P07099 2/20 0.36
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
EPHX2 P34913 1/20 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
SCHEMBL5514791 0.93 TAAR1 (0.38)
SCHEMBL3345186 0.89 EPHX1 (0.44) TP53CYP3A4CTSKCTSLCTSB
SCHEMBL5523476 0.88 EPHX1 (0.42) TP53CYP3A4CTSKCTSLCTSB
SCHEMBL14341537 0.86 CTSK (0.33) TP53CYP3A4CTSKCTSLCTSB
SCHEMBL2988848 0.84 LMNA (0.41) CTSKCTSLCTSBCTSHEPHX1
SCHEMBL17797266 0.84 TP53 (0.39) TP53CYP3A4CTSKCTSLCTSB
SCHEMBL2986132 0.84 LMNA (0.41) CTSKCTSLCTSBCTSHEPHX1
SCHEMBL7843971 0.84 LMNA (0.41) CTSKCTSLCTSBCTSHEPHX1
SCHEMBL5517655 0.83 TSHR (0.40) EPHX1EPHX2
SCHEMBL5520072 0.83 TSHR (0.40) EPHX1EPHX2

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-7282601-B2 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-10-16 US disclosed
US-20050038283-A1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL, CO., LTD. (JP) 2005-02-17 US disclosed
US-6667285-B1 Branched-chain carboxylic acid monoalkyl ester with outstanding hydrolytic stability NEW JAPAN CHEMICAL CO., LTD. (JP) 2003-12-23 US disclosed
EP-1227078-A1 DICARBOXYLIC DIESTER, PROCESS FOR PRODUCING THE SAME, AND REFRIGERATING MACHINE LUBRICATING OIL COMPRISING THE ESTER NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-31 EP disclosed
EP-1225213-A1 LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-24 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-20050038283-A1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester SCO2, PDHX, DECR2 TP53 3031/4885CYP3A4 575/4885CTSK 4042/4885

“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.