SCHEMBL5518261

SCHEMBL5518261

COC(=O)C1CC=CCC1C(=O)OC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM2 P08172 3/20 0.39
CHRM4 P08173 3/20 0.39
CHRM3 P20309 3/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL1902016 0.91 FABP7 (0.42) EPHX1KDM4EALDH1A1MEN1CYP1A2
SCHEMBL1296124 0.85 EPHX1 (0.47) EPHX1SLC6A2SLC6A4CYP2C19CHRM2
SCHEMBL7721103 0.84 KDM4E (0.51) EPHX1KDM4EALDH1A1MEN1CYP1A2
SCHEMBL14429737 0.83 EPHX1 (0.44) EPHX1SLC6A2SLC6A4CYP3A4CHRM2
SCHEMBL5523570 0.82 POLB (0.46) EPHX1KDM4EALDH1A1MEN1CYP1A2
SCHEMBL5530961 0.82 EPHX1 (0.42) EPHX1ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL9308973 0.81 GAA (0.41) ALDH1A1CYP1A2CYP3A4CHRM2CHRM4
SCHEMBL418068 0.81 GAA (0.41) ALDH1A1CYP1A2CYP3A4CHRM2CHRM4
SCHEMBL8246813 0.81 GAA (0.41) ALDH1A1CYP1A2CYP3A4CHRM2CHRM4
SCHEMBL13198671 0.81 GAA (0.41) ALDH1A1CYP1A2CYP3A4CHRM2CHRM4

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-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
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

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 EPHX1 279/4885SLC6A2 4747/4885SLC6A4 4613/4885

“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.