SCHEMBL523236

SCHEMBL523236

O=C(O)CCCC(OCc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
CNR2 P34972 1/20 0.42
SLC6A3 Q01959 4/20 0.41
ADRA1A P35348 2/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
TBXA2R P21731 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL14610742 1.00 HTT (0.42) HTTCNR2SLC6A3ADRA1AHDAC3
SCHEMBL3222356 0.85 MAPT (0.50) HTTSLC6A3ADRA1AHDAC3MAPK1
SCHEMBL14610756 0.82 FOLH1 (0.44) TBXA2RALDH1A1SLC6A9MAPTCYP2D6
SCHEMBL641621 0.82 HDAC2 (0.48) CNR2SLC6A3HDAC3HDAC1HDAC2
SCHEMBL27587442 0.81 CPA3 (0.47) HTTSLC6A3ADRA1AHDAC3MAPK1
SCHEMBL4130181 0.81 CPA3 (0.47) HTTSLC6A3ADRA1AHDAC3MAPK1
SCHEMBL522211 0.81 FKBP1A (0.50) SLC6A3ADRA1ASMN1; SMN2ALDH1A1MAPT
SCHEMBL14610747 0.81 FKBP1A (0.50) SLC6A3ADRA1ASMN1; SMN2ALDH1A1MAPT
SCHEMBL28551455 0.79 CHRNB2 (0.46) SLC6A3SLC6A2SLC6A4CYP2D6CYP2C9
SCHEMBL10024993 0.79 TBXA2R (0.45) HTTTBXA2RALDH1A1SLC6A9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994520-B2 Enzymatic process for the preparation of (S)-5-(4-fluoro-phenyl)-5-hydroxy-1morpholin-4-yl-pentan-1-one, an intermediate of ezetimibe and further conversion to ezetimibe MYLAN LABORATORIES LIMITED (IN) 2018-06-12 US disclosed
US-20160280642-A1 ENZYMATIC PROCESS FOR THE PREPARATION OF (S)-5-(4-FLUORO-PHENYL)-5-HYDROXY- 1MORPHOLIN-4-YL-PENTAN-1-ONE, AN INTERMEDIATE OF EZETIMIBE AND FURTHER CONVERSION TO EZETIMIBE MYLAN LABORATORIES LIMITED (IN) 2016-09-29 US disclosed
US-9388440-B2 Enzymatic process for the preparation of (S)-5-(4-fluoro-phenyl)-5-hydroxy-1morpholin-4-yl-pentan-1-one, an intermediate of Ezetimibe and further conversion to Ezetimibe MYLAN LABORATORIES LIMITED (IN) 2016-07-12 US disclosed
EP-2414529-A2 ENZYMATIC PROCESS FOR THE PREPARATION OF (S)-5-(4-FLUORO-PHENYL)-5-HYDROXY- 1MORPHOLIN-4-YL-PENTAN-1-ONE, AN INTERMEDIATE OF EZETIMIBE AND FURTHER CONVERSION TO EZETIMIBE Matrix Laboratories Ltd (IN) 2012-02-08 EP disclosed
US-20120028316-A1 ENZYMATIC PROCESS FOR THE PREPARATION OF (S)-5-(4-FLUORO-PHENYL)-5-HYDROXY- 1MORPHOLIN-4-YL-PENTAN-1-ONE, AN INTERMEDIATE OF EZETIMIBE AND FURTHER CONVERSION TO EZETIMIBE MATRIX PHARMACORP PRIVATE LIMITED (IN) 2012-02-02 US disclosed
WO-2010113175-A2 ENZYMATIC PROCESS FOR THE PREPARATION OF (S)-5-(4-FLUORO-PHENYL)-5-HYDROXY- 1MORPHOLIN-4-YL-PENTAN-1-ONE, AN INTERMEDIATE OF EZETIMIBE AND FURTHER CONVERSION TO EZETIMIBE MATRIX LABORATORIES LTD (IN) 2010-10-07 WO 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-20120028316-A1 ENZYMATIC PROCESS FOR THE PREPARATION OF (S)-5-(4-FLUORO-PHENYL)-5-HYDROXY- 1MORPHOLIN-4-YL-PENTAN-1-ONE, AN INTERMEDIATE OF EZETIMIBE AND FURTHER CONVERSION TO EZETIMIBE CES1, CMA1, CYP51A1 HTT 1841/4885CNR2 2712/4885SLC6A3 4746/4885
US-20160280642-A1 ENZYMATIC PROCESS FOR THE PREPARATION OF (S)-5-(4-FLUORO-PHENYL)-5-HYDROXY- 1MORPHOLIN-4-YL-PENTAN-1-ONE, AN INTERMEDIATE OF EZETIMIBE AND FURTHER CONVERSION TO EZETIMIBE TPSD1, PCSK9, PEPD HTT 1954/4885CNR2 1569/4885SLC6A3 4851/4885

“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.