SCHEMBL5517023

SCHEMBL5517023

CCCCC(CC)COC(=O)C1CC=CCC1C(=O)OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.47
TSHR P16473 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 6/20 0.45
CA2 P00918 3/20 0.45
LMNA P02545 3/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 1/20 0.41
RECQL P46063 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
GAA P10253 1/20 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
SCHEMBL1897490 0.92 CYP3A4 (0.54) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL5526311 0.91 CYP3A4 (0.46) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL5517117 0.90 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL5521326 0.88 CYP3A4 (0.54) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL5521276 0.87 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL5521363 0.87 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL5525243 0.87 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL5517142 0.87 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1296455 0.86 CYP3A4 (0.48) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1297731 0.80 CYP3A4 (0.60) CYP3A4TSHRTDP1ATMALDH1A1

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 CYP3A4 575/4885TSHR 3173/4885TDP1 4374/4885

“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.