SCHEMBL218012

SCHEMBL218012

COCCCOc1cc(C=O)ccc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.71
ALDH1A1 P00352 13/20 0.66
TSHR P16473 1/20 0.66
MAPT P10636 10/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
LMNA P02545 4/20 0.65
NPSR1 Q6W5P4 2/20 0.65
HTT P42858 2/20 0.65
CYP2C9 P11712 3/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
HPGD P15428 8/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
HSP90AA1 P07900 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
CYP2D6 P10635 1/20 0.52
AOX1 Q06278 1/20 0.51
TRIM24 O15164 1/20 0.51
ALDH5A1 P51649 1/20 0.51

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
SCHEMBL5974454 0.95 FDPS (0.77) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL1515797 0.92 FDPS (0.78) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL3924101 0.92 ALDH1A1 (0.63) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL13590011 0.90 FDPS (0.75) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL5974612 0.90 FDPS (0.75) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL7661907 0.90 FDPS (0.86) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL3924488 0.87 FDPS (0.71) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL1748837 0.87 FDPS (0.71) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL30462849 0.87 FDPS (0.71) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL8905918 0.86 FDPS (0.69) FDPSALDH1A1TSHRMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011148392-A1 PROCESS FOR THE PREPARATION OF (2S,4S,5S,7S)-N-(2-CARBAMYL-2- METHYLPROPYL)-5-AMINO-4-HYDROXY-2,7-DIISOPROPYL-8-[4-METHOXY-3-(3- METHOXYPROPOXY)PHENYL]-OCTANAMIDE HEMIFUMARATE AND ITS INTERMEDIATES THEREOF MSN LABORATORIES LIMITED (IN) 2011-12-01 WO claimed
CN-109400553-B Preparation method of aliskiren intermediate 常州红太阳药业有限公司 2022-03-18 CN disclosed
US-20220017536-A1 Crystal Form of Hepatitis B Surface Antigen Inhibitor FUJIAN AKEYLINK BIOTECHNOLOGY CO., LTD. (CN) 2022-01-20 US disclosed
US-20200197409-A1 HEPATITIS B VIRUS SURFACE ANTIGEN INHIBITOR FUJIAN COSUNTER PHARMACEUTICAL CO., LTD. (CN) 2020-06-25 US disclosed
WO-2018154466-A1 DIHYDROQUINOLIZINONES AS ANTIVIRALS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-30 WO disclosed
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed
US-9346745-B2 Process for producing Aliskiren CHEMO IBERICA, S.A. (ES) 2016-05-24 US disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-20130252288-A1 ENANTIOSELECTIVE REDUCTION DSM IP ASSETS B.V. (NL) 2013-09-26 US disclosed
EP-2576500-A2 PROCESS FOR PRODUCING ALISKIREN Chemo Iberica, S.A. (ES) 2013-04-10 EP disclosed
US-6683206-B2 STEREOSELECTIVE ADDITION TO BENZALDEHYDES; REGIOSELECTIVE ELIMINATION TO FORM 3-R-2-R3-PROPENIC ACID ESTERS; HYDROLYSIS; HYDROGENATION USING RUTHENIUM, RHODIUM OR IRIDIUM CATALYST SPEEDEL PHARMA AG (CH) 2004-01-27 US disclosed
US-20030139625-A1 Preparation of (r -2-alkyl-3-phenylpropionic acids SPEEDEL PHARMA AG (CH) 2003-07-24 US disclosed
EP-1296927-A1 PREPARATION OF (R)-2-ALKYL-3-PHENYLPROPIONIC ACIDS Speedel Pharma AG (CH) 2003-04-02 EP disclosed
EP-1296912-A1 PROCESS FOR THE PREPARATION OF (R)-2-ALKYL-3-PHENYL-1-PROPANOLS Speedel Pharma AG (CH) 2003-04-02 EP disclosed
EP-1200390-A1 PRODUCTION OF N-SUBSTITUTED 2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYLAMIDES Speedel Pharma AG (CH) 2002-05-02 EP disclosed
WO-2002002500-A1 PREPARATION OF (R)-2-ALKYL-3-PHENYLPROPIONIC ACIDS SPEEDEL PHARMA AG (CH) 2002-01-10 WO disclosed
WO-2002002487-A1 PROCESS FOR THE PREPARATION OF (R)-2-ALKYL-3-PHENYL-1-PROPANOLS SPEEDEL PHARMA AG (CH) 2002-01-10 WO disclosed
WO-2001009083-A1 PRODUCTION OF N-SUBSTITUTED 2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYLAMIDES SPEEDEL PHARMA AG (CH) 2001-02-08 WO disclosed
US-5659065-A CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS NOVARTIS CORPORATION (US) 1997-08-19 US disclosed
EP-0678500-A1 Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1995-10-25 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 (3 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-20030139625-A1 Preparation of (r -2-alkyl-3-phenylpropionic acids PCCA, APEH, ALDH1A1 FDPS 1515/4885ALDH1A1 3/4885TSHR 1798/4885
US-20220017536-A1 Crystal Form of Hepatitis B Surface Antigen Inhibitor HAVCR2, HLA-B, CD74 FDPS 826/4885ALDH1A1 1426/4885TSHR 3617/4885
US-20200197409-A1 HEPATITIS B VIRUS SURFACE ANTIGEN INHIBITOR HAVCR2, CD74, HLA-B FDPS 3777/4885ALDH1A1 1143/4885TSHR 2807/4885

“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.