SCHEMBL4075367

SCHEMBL4075367

CCC[C@@](O)(CCc1ccccc1)CC(=O)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.42
SLC13A5 Q86YT5 3/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.40
KEAP1 Q14145 1/20 0.40
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC3 O15379 3/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC10 Q969S8 2/20 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
SCHEMBL4075370 1.00 MMP12 (0.42) MMP12SLC13A5KDM4EMEN1LMNA
SCHEMBL4071793 0.88 SLC13A5 (0.49) SLC13A5KDM4EMEN1LMNACYP1A2
SCHEMBL6696645 0.88 SLC13A5 (0.49) SLC13A5KDM4EMEN1LMNACYP1A2
SCHEMBL4071789 0.88 SLC13A5 (0.49) SLC13A5KDM4EMEN1LMNACYP1A2
SCHEMBL5809381 0.87 CA12 (0.40) SLC13A5KDM4ELMNAGAAALOX12
SCHEMBL5794195 0.87 CA12 (0.40) SLC13A5KDM4ELMNAGAAALOX12
SCHEMBL5811663 0.87 CA12 (0.40) SLC13A5KDM4ELMNAGAAALOX12
SCHEMBL5808973 0.85 PPID (0.45) LMNAHDAC2HDAC8HDAC6HDAC3
SCHEMBL5808979 0.85 PPID (0.45) LMNAHDAC2HDAC8HDAC6HDAC3
SCHEMBL5795342 0.85 PPID (0.45) LMNAHDAC2HDAC8HDAC6HDAC3

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 13 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-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
WO-2006006851-A2 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY ENRICHED ESTER OR THE CORRESPONDING ACID THEREOF DSM IP ASSETS B.V. (NL) 2006-01-19 WO 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 MMP12 4528/4885SLC13A5 403/4885KDM4E 2546/4885
US-20030176507-A1 Production method of (R) -3 hydroxy-3- (2-phenylethyl) hexanoic acid and intermediate thereof HAAO, HPD, HAO2 MMP12 4432/4885SLC13A5 586/4885KDM4E 2381/4885

“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.