SCHEMBL6399150

SCHEMBL6399150

CCC(C)OC(=O)c1ccccc1C(=O)OCCC(C)CC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
EGFR P00533 1/20 0.45
TSHR P16473 7/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 3/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.43
CA2 P00918 1/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ADRA1A P35348 1/20 0.39
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2807375 0.89 ALDH1A1 (0.53) ALDH1A1EGFRTSHRTDP1L3MBTL1
SCHEMBL29358453 0.89 ALDH1A1 (0.53) ALDH1A1EGFRTSHRTDP1L3MBTL1
SCHEMBL6400464 0.88 EGFR (0.47) ALDH1A1EGFRTSHRTDP1L3MBTL1
SCHEMBL6402919 0.87 ALDH1A1 (0.64) ALDH1A1EGFRTSHRTDP1L3MBTL1
SCHEMBL6402890 0.87 TSHR (0.58) ALDH1A1EGFRTSHRTDP1L3MBTL1
SCHEMBL6398707 0.85 TSHR (0.66) ALDH1A1EGFRTSHRTDP1L3MBTL1
SCHEMBL3426363 0.84 EGFR (0.48) ALDH1A1EGFRTSHRTDP1L3MBTL1
SCHEMBL6402142 0.84 EGFR (0.51) ALDH1A1EGFRTSHRTDP1L3MBTL1
SCHEMBL6405699 0.83 ALDH1A1 (0.65) ALDH1A1EGFRTSHRTDP1L3MBTL1
SCHEMBL28266676 0.81 ALDH1A1 (0.72) ALDH1A1TSHRTDP1L3MBTL1CYP3A4

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 3078/4885EGFR 1068/4885TSHR 3173/4885

“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.