SCHEMBL6402307

SCHEMBL6402307

CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC

nearest known ligand 0.91

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.91
CYP3A4 P08684 4/20 0.91
CA2 P00918 1/20 0.91
PRSS1 P07477 1/20 0.82
PRSS2 P07478 1/20 0.82
PRSS3 P35030 1/20 0.82
LMNA P02545 4/20 0.78
TSHR P16473 9/20 0.67
MAPK1 P28482 3/20 0.67
HSD17B10 Q99714 3/20 0.56
TDP1 Q9NUW8 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 1/20 0.53
ATM Q13315 1/20 0.51
KDM4E B2RXH2 2/20 0.49

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
Bis(2-Ethylhexyl)Phthalate SCHEMBL21733281 0.96 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2PRSS1PRSS2
Bis(2-Ethylhexyl) Phthalate SCHEMBL29351619 0.96 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2PRSS1PRSS2
Bis(2-Ethylhexyl) Phthalate SCHEMBL20271 0.96 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2PRSS1PRSS2
Bis(2-Ethylhexyl) Phthalate SCHEMBL2864306 0.96 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2PRSS1PRSS2
Bis(2-Ethylhexyl)Phthalate SCHEMBL29411299 0.96 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2PRSS1PRSS2
Bis(2-Ethylhexyl) Phthalate SCHEMBL9017840 0.94 ALDH1A1 (0.97) ALDH1A1CYP3A4CA2PRSS1PRSS2
Bis(2-Ethylhexyl) Phthalate SCHEMBL8397045 0.94 ALDH1A1 (0.97) ALDH1A1CYP3A4CA2PRSS1PRSS2
Bis(2-Ethylhexyl) Phthalate SCHEMBL4602015 0.94 ALDH1A1 (0.97) ALDH1A1CYP3A4CA2PRSS1PRSS2
Bis(2-Ethylhexyl) Phthalate SCHEMBL22190333 0.94 ALDH1A1 (0.97) ALDH1A1CYP3A4CA2PRSS1PRSS2
Bis(2-Ethylhexyl) Phthalate SCHEMBL74067 0.94 ALDH1A1 (0.97) ALDH1A1CYP3A4CA2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116046755-A Qualitative and quantitative research method for plasticizer in extra virgin olive oil 燕山大学 2023-05-02 CN claimed
CN-108663445-B Analysis method for determining residues of various pollutants in acidic simulated soak solution of food contact material 张宪臣 2020-12-18 CN claimed
CN-116046755-A Qualitative and quantitative research method for plasticizer in extra virgin olive oil 燕山大学 2023-05-02 CN disclosed
CN-103608363-B Solid catalyst component for olefin polymerization and catalyzer TOHO TITANIUM CO.,LTD. (JP) 2016-03-02 CN disclosed
CN-103608363-A Solid catalyst component for olefin polymerization, and catalyst TOHO TITANIUM CO LTD 2014-02-26 CN 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
EP-0773240-B1 Solid catalyst component for polymerizing olefins and catalyst for polymerization of olefins TOHO TITANIUM CO LTD (JP) 2001-08-22 EP disclosed
EP-0773241-A2 Solid catalyst component for polymerizing olefins and catalyst for polymerization of olefins TOHO TITANIUM CO., LTD. (JP) 1997-05-14 EP disclosed
EP-0773240-A2 Solid catalyst component for polymerizing olefins and catalyst for polymerization of olefins TOHO TITANIUM CO., LTD. (JP) 1997-05-14 EP disclosed
EP-0665243-A2 Catalyst for polymerization of olefins and process for polymerization of olefins using the same TOHO TITANIUM CO., LTD. (JP) 1995-08-02 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 3078/4885CYP3A4 575/4885CA2 517/4885

“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.