SCHEMBL4074798

SCHEMBL4074798

CCCC(O)(CCc1ccccc1)CC(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.46
ALOX5 P09917 1/20 0.44
ABCB1 P08183 1/20 0.43
HSD11B1 P28845 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F10 P00742 1/20 0.40
F2 P00734 1/20 0.39

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
SCHEMBL5808979 0.89 PPID (0.45) PPIDALOX5ABCB1SMN1; SMN2MAPT
SCHEMBL5808973 0.89 PPID (0.45) PPIDALOX5ABCB1SMN1; SMN2MAPT
SCHEMBL5795342 0.89 PPID (0.45) PPIDALOX5ABCB1SMN1; SMN2MAPT
SCHEMBL6560435 0.87 CA12 (0.43) PPIDTDP1
Ethyl Acetate SCHEMBL6494884 0.85 ALDH1A1 (0.43) PPIDSMN1; SMN2MAPTL3MBTL1
SCHEMBL4078833 0.84 CA12 (0.43) MAPTTDP1
SCHEMBL4078944 0.83 TSHR (0.51) SMN1; SMN2MAPTTDP1CYP4F2CYP4A11
SCHEMBL4071793 0.83 SLC13A5 (0.49) SMN1; SMN2
SCHEMBL6696645 0.83 SLC13A5 (0.49) SMN1; SMN2
SCHEMBL4071789 0.83 SLC13A5 (0.49) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481961-B1 PROCESS FOR PRODUCING (R)-3-HYDROXY-3-(2-PHENYLETHYL)HEXANOIC ACID AND ITS INTERMEDIATE SUMITOMO CHEMICAL CO (JP) 2009-11-25 EP disclosed
CN-100528828-C Production method of racemiation3-hydroxy-3- (2-phenylethyl) hexanoic acid C1-6 alkyl ester SUMIKA FINE CHEMICALS CO LTD (JP) 2009-08-19 CN disclosed
EP-1894912-B1 Process for producing racemic 3-hydroxy-3-(2-phenylethyl) hexanoic acid ester SUMITOMO CHEMICAL CO (JP) 2009-08-05 EP disclosed
EP-1894912-B1 Process for producing racemic 3-hydroxy-3-(2-phenylethyl) hexanoic acid ester SUMITOMO CHEMICAL CO (JP) 2009-08-05 EP disclosed
US-20090062346-A1 DEUTERIUM-ENRICHED TIPRANAVIR PROTIA, LLC (US) 2009-03-05 US disclosed
US-20090062346-A1 DEUTERIUM-ENRICHED TIPRANAVIR PROTIA, LLC (US) 2009-03-05 US disclosed
EP-1894912-A1 Process for producing racemic 3-hydroxy-3-(2-phenylethyl) hexanoic acid ester Sumitomo Chemical Company, Limited (JP) 2008-03-05 EP disclosed
EP-1894912-A1 Process for producing racemic 3-hydroxy-3-(2-phenylethyl) hexanoic acid ester Sumitomo Chemical Company, Limited (JP) 2008-03-05 EP disclosed
CN-1982284-A Production method of (R) -3 hydroxy-3- (2-phenylethyl) hexanoic acid and intermediate thereof SUMIKA FINE CHEMICALS CO LTD (JP) 2007-06-20 CN disclosed
CN-1301244-C Process for producing -3-hydroxy-3- (2-phenylethyl) hexanoic acid and intermediates thereof SUMITOMO CHEMICAL CO (JP) 2007-02-21 CN disclosed
US-7038075-B2 Production method of racemic 3-hydroxy-3-(2-phenylethyl)hexanoic acid C1-6 alkyl ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-05-02 US disclosed
CN-1617846-A Process for producing -3-hydroxy-3- (2-phenylethyl) hexanoic acid and intermediates thereof SUMITOMO CHEMICAL CO (JP) 2005-05-18 CN disclosed
EP-1481961-A1 PROCESS FOR PRODUCING (R)-3-HYDROXY-3-(2-PHENYLETHYL)HEXANOIC ACID AND ITS INTERMEDIATE Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed
US-20040138496-A1 Production method of (R)-3- hydroxy-3-(2-phenylethyl)hexanoic acid and intermediate thereof SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-07-15 US disclosed
WO-2004052883-A2 PROCESS FOR THE SEPARATION OF ENANTIOMERS HONEYWELL INTERNATIONAL INC. (US) 2004-06-24 WO disclosed
US-20040110957-A1 Process for the synthesis of an antiviral compound HONEYWELL INTERNATIONAL, INC. (US) 2004-06-10 US disclosed
US-6683207-B2 RESOLUTION USING 1-AMINO-1-PHENYLETHANE DERIVATIVE SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-01-27 US disclosed
US-20030176507-A1 Production method of (R) -3 hydroxy-3- (2-phenylethyl) hexanoic acid and intermediate thereof SUMIKA FINE CHEMICALS CO., LTD. (JP) 2003-09-18 US disclosed
JP-2003112045-A ACTIVATED ZINC, ITS USE, METHOD FOR PREPARING THE SAME AND METHOD FOR PREPARING ETHYL 3-HYDROXY-3-(2- PHENYLETHYL)HEXANOATE USING THE SAME SUMIKA FINE CHEMICALS CO LTD 2003-04-15 JP disclosed
JP-2003112045-A ACTIVATED ZINC, ITS USE, METHOD FOR PREPARING THE SAME AND METHOD FOR PREPARING ETHYL 3-HYDROXY-3-(2- PHENYLETHYL)HEXANOATE USING THE SAME SUMIKA FINE CHEMICALS CO LTD 2003-04-15 JP 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 (4 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-20040138496-A1 Production method of (R)-3- hydroxy-3-(2-phenylethyl)hexanoic acid and intermediate thereof HAAO, HPD, HAO2 PPID 3280/4885ALOX5 109/4885ABCB1 1423/4885
US-20040110957-A1 Process for the synthesis of an antiviral compound EIF2AK2, IRF3, RTF1 PPID 3019/4885ALOX5 1693/4885ABCB1 4216/4885
US-20030176507-A1 Production method of (R) -3 hydroxy-3- (2-phenylethyl) hexanoic acid and intermediate thereof HAAO, HPD, HAO2 PPID 3238/4885ALOX5 96/4885ABCB1 1678/4885
US-20090062346-A1 DEUTERIUM-ENRICHED TIPRANAVIR SAMHD1, NSD3, NSD1 PPID 1424/4885ALOX5 3958/4885ABCB1 1948/4885

“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.