SCHEMBL4076046

SCHEMBL4076046

CCCC(CCc1ccccc1)CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 3/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ MMP14 P50281 1/20 0.49
▸ S1PR2 O95136 1/20 0.48
▸ S1PR1 P21453 1/20 0.48
▸ TSHR P16473 1/20 0.46
▸ KEAP1 Q14145 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL18065715 0.91 MMP12 (0.56) MMP12MMP2MMP9MMP13MMP14
SCHEMBL7195674 0.88 MMP12 (0.50) MMP12MMP2MMP9MMP13MMP14
SCHEMBL10659127 0.85 DPP4 (0.52) S1PR2S1PR1TSHRMEN1HTT
SCHEMBL8095896 0.83 SIGMAR1 (0.46) TSHRPOLBHPGD
SCHEMBL2221988 0.83 ANPEP (0.48) S1PR2S1PR1POLBMEN1HTT
SCHEMBL2221986 0.83 ANPEP (0.48) S1PR2S1PR1POLBMEN1HTT
SCHEMBL7712798 0.83 F2 (0.51) TSHRPOLBSMN1; SMN2
SCHEMBL27519412 0.83 MMP12 (0.49) MMP12MMP2MMP9MMP13MMP14
SCHEMBL10488291 0.82 MMP12 (0.51) MMP12MMP2MMP9MMP13MMP14
SCHEMBL9075590 0.82 KMT2A (0.46) MMP12MMP2MMP9MMP13MMP14

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 12 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
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 4528/4885MMP2 1536/4885MMP9 3007/4885
US-20030176507-A1 Production method of (R) -3 hydroxy-3- (2-phenylethyl) hexanoic acid and intermediate thereof HAAO, HPD, HAO2 MMP12 4432/4885MMP2 1436/4885MMP9 2985/4885

“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.

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