SCHEMBL5515262

SCHEMBL5515262

COC(=O)C1CC=CC(C)C1C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
POLB P06746 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPP1CC P36873 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL11741348 0.91 POLB (0.47) POLBCTDSP1TDP1PPM1BPTPN1
SCHEMBL11741338 0.91 POLB (0.47) POLBCTDSP1TDP1PPM1BPTPN1
SCHEMBL11741342 0.91 POLB (0.47) POLBCTDSP1TDP1PPM1BPTPN1
SCHEMBL18952453 0.85 CYP2C19 (0.37) CYP2C19POLBCTDSP1TDP1PPM1B
SCHEMBL14350437 0.82 CYP2C19 (0.31) CYP2C19ALDH1A1
SCHEMBL13145001 0.81 CYP2C19 (0.35) CYP2C19PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL13121724 0.81 CYP2C19 (0.35) CYP2C19PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL2220460 0.80 POLB (0.42) POLBCTDSP1TDP1ALDH1A1TSHR
SCHEMBL1901950 0.78 POLB (0.48) POLBCTDSP1TDP1PPM1BPTPN1
SCHEMBL11766935 0.78 POLB (0.48) POLBCTDSP1TDP1PPM1BPTPN1

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 4 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-7271282-B1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-09-18 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 CYP2C19 1046/4885POLB 893/4885CTDSP1 225/4885

“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.