SCHEMBL4326257

SCHEMBL4326257

CCC(C(=O)O)C(=O)c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
PTPN1 P18031 1/20 0.46
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.43
ALB P02768 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL27960653 1.00 CES2 (0.50) CES2CES1LMNAKDM4EPTPN1
Methyl Alcohol SCHEMBL27960708 0.98 CES2 (0.49) CES2CES1LMNAKDM4EPTPN1
SCHEMBL8576290 0.87 MEN1 (0.43) CES2CES1LMNAKDM4EPTPN1
SCHEMBL17290348 0.86 CES2 (0.47) CES2CES1LMNAKDM4EPTPN1
SCHEMBL26597084 0.83 KDM4E (0.46) CES2CES1LMNAKDM4EPTPN1
SCHEMBL1878466 0.80 SLC6A2 (0.48) KDM4EERCC5FEN1GAAALDH1A1
SCHEMBL19333968 0.80 CES2 (0.51) CES2CES1LMNAKDM4EPTPN1
SCHEMBL10798460 0.80 CES2 (0.51) CES2CES1LMNAKDM4EPTPN1
SCHEMBL2291303 0.79 CES2 (0.53) CES2CES1MEN1KMT2A
SCHEMBL2292145 0.79 ALDH1A1 (0.52) CES2CES1ERCC5FEN1ALDH1A1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108059609-A The new preparation process of Ezetimibe 武汉启瑞药业有限公司 2018-05-22 CN claimed
CN-108059608-A A kind of preparation method of Ezetimibe 武汉启瑞药业有限公司 2018-05-22 CN claimed
CN-104744390-A Preparation method of ezetimibe internmediate ketone UNIV NANJING NORMAL 2015-07-01 CN claimed
CN-102605034-B Biological enzyme resolution method for preparing optically pure (S)-5-(4-fluorophenyl)-5-hydroxypentanoate CHONGQING HUIJIAN BIOLOG TECHNOLOGY CO LTD 2014-05-14 CN claimed
CN-102605034-A Biological enzyme resolution method for preparing optically pure (S)-5-(4-fluorophenyl)-5-hydroxypentanoate CHONGQING HUIJIAN BIOLOG TECHNOLOGY CO LTD 2012-07-25 CN claimed
WO-2023164877-A1 FULLERENE DERIVATIVE AND PEROVSKITE SOLAR CELL 宁德时代新能源科技股份有限公司 2023-09-07 WO disclosed
CN-108059609-A The new preparation process of Ezetimibe 武汉启瑞药业有限公司 2018-05-22 CN disclosed
CN-108059608-A A kind of preparation method of Ezetimibe 武汉启瑞药业有限公司 2018-05-22 CN disclosed
CN-204918429-U Production is to mechanical device of fluorine benzoyl butyric acid XINYI WANYU INDUSTRY AND TRADE CO LTD 2015-12-30 CN disclosed
CN-104744390-A Preparation method of ezetimibe internmediate ketone UNIV NANJING NORMAL 2015-07-01 CN disclosed
CN-102605034-B Biological enzyme resolution method for preparing optically pure (S)-5-(4-fluorophenyl)-5-hydroxypentanoate CHONGQING HUIJIAN BIOLOG TECHNOLOGY CO LTD 2014-05-14 CN disclosed
WO-2012173504-A2 METHOD FOR SYNTHESIS OF THE SUBSTITUTED AZETIDINONES AND INTERMEDIATES FOR THEIR SYNTHESIS Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) 2012-12-20 WO disclosed
WO-2007144780-A2 PROCESSES FOR PREPARING EZETIMIBE AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION THEREOF MEDICHEM S.A. (US) 2007-12-21 WO disclosed
WO-2007119106-A2 PROCESSES FOR PREPARING INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF EZETIMIBE MEDICHEM, S.A. (US) 2007-10-25 WO disclosed
WO-2007108007-A1 A PROCESS FOR THE PREPARATION OF EZETIMIBE VIA A NOVEL INTERMEDIATE UNICHEM LABORATORIES LIMITED (IN) 2007-09-27 WO disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 US disclosed
EP-0858996-B1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARM CO LTD (JP) 2004-10-27 EP disclosed
US-6040331-A Nerve cell protective agents MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-21 US disclosed
EP-0858996-A1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 CES2 2776/4885CES1 1734/4885LMNA 3865/4885

“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.