SCHEMBL3999031

SCHEMBL3999031

COC(=O)CCCC(O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
PTGER2 P43116 6/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PPARG P37231 1/20 0.44
PTGER4 P35408 2/20 0.44
PTGER3 P43115 2/20 0.44
TSHR P16473 1/20 0.44
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
AOC3 Q16853 1/20 0.42
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 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
SCHEMBL2044616 1.00 ALDH1A1 (0.48) ALDH1A1MAPTHTTPTGER2MEN1
SCHEMBL27452301 0.94 PTGER2 (0.53) ALDH1A1MAPTHTTPTGER2MEN1
SCHEMBL639304 0.92 MAPT (0.49) ALDH1A1MAPTHTTPTGER2MEN1
SCHEMBL639305 0.92 MAPT (0.49) ALDH1A1MAPTHTTPTGER2MEN1
SCHEMBL8898411 0.87 CA12 (0.43) ALDH1A1MAPTHTTPTGER2PPARG
SCHEMBL7149177 0.86 MAPT (0.47) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL13764875 0.84 MMP1 (0.47) ALDH1A1MAPTHTTTSHRCA12
SCHEMBL29117963 0.83 HTT (0.45) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL6829910 0.83 MEN1 (0.50) ALDH1A1MAPTHTTPTGER2MEN1
SCHEMBL8770971 0.81 HTT (0.59) ALDH1A1MAPTHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111138276-A Synthesis method of chiral 5- (4-fluorophenyl) -5-hydroxypentanoate 郑州手性药物研究院有限公司 2020-05-12 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
CN-111138276-A Synthesis method of chiral 5- (4-fluorophenyl) -5-hydroxypentanoate 郑州手性药物研究院有限公司 2020-05-12 CN disclosed
CN-111138276-A Synthesis method of chiral 5- (4-fluorophenyl) -5-hydroxypentanoate 郑州手性药物研究院有限公司 2020-05-12 CN disclosed
CN-103896700-A Preparation method of ezetimibe chiral intermediate ZHEJIANG JIUZHOU PHARMACEUTICAL TECHNOLOGY CO LTD 2014-07-02 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
CN-101384532-B method for producing optically active alcohol KOTOBUKI PHARMACEUTICAL CO LTD 2013-01-02 CN disclosed
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 disclosed
CN-100582092-C Process for preparing diphenyl azetidinone derivatives AVENTIS PHARMA GMBH 2010-01-20 CN disclosed
US-7563888-B2 Process for the preparation of diphenyl azetidinone derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-07-21 US disclosed
CN-101384532-A Method for producing optically active alcohol KOTOBUKI PHARMACEUTICAL CO LTD (JP) 2009-03-11 CN disclosed
US-20070149501-A1 PROCESS FOR THE PREPARATION OF DIPHENYL AZETIDINONE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-28 US disclosed
CN-1956951-A Method for producing diphenyl azetidinone derivatives AVENTIS PHARMA GMBH (DE) 2007-05-02 CN disclosed
CN-1268889-A Novel process for obtg. intermediates SMITHKLINE BEECHAM CORP (US) 2000-10-04 CN 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-20070149501-A1 PROCESS FOR THE PREPARATION OF DIPHENYL AZETIDINONE DERIVATIVES CYP46A1, APOB, DHCR7 ALDH1A1 881/4885MAPT 4766/4885HTT 3445/4885

“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.