SCHEMBL6405699

SCHEMBL6405699

CC(C)COC(=O)c1ccccc1C(=O)OCCC(C)CC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
TSHR P16473 6/20 0.65
EGFR P00533 2/20 0.47
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 2/20 0.44
CA2 P00918 1/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL29358453 0.93 ALDH1A1 (0.53) ALDH1A1TSHREGFRTP53TDP1
SCHEMBL2807375 0.93 ALDH1A1 (0.53) ALDH1A1TSHREGFRTP53TDP1
SCHEMBL6402919 0.88 ALDH1A1 (0.64) ALDH1A1TSHREGFRTP53TDP1
SCHEMBL6402890 0.88 TSHR (0.58) ALDH1A1TSHREGFRTP53TDP1
SCHEMBL6402142 0.88 EGFR (0.51) ALDH1A1TSHREGFRTP53TDP1
SCHEMBL3426363 0.88 EGFR (0.48) ALDH1A1TSHREGFRTP53TDP1
SCHEMBL6400464 0.86 EGFR (0.47) ALDH1A1TSHREGFRTP53TDP1
SCHEMBL6398707 0.85 TSHR (0.66) ALDH1A1TSHREGFRTP53TDP1
SCHEMBL27784225 0.84 TSHR (0.80) ALDH1A1TSHRTP53MAPTTDP1
SCHEMBL6399150 0.83 ALDH1A1 (0.47) ALDH1A1TSHREGFRTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 3078/4885TSHR 3173/4885EGFR 1068/4885

“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.