SCHEMBL3979993

SCHEMBL3979993

CC(C)COC(=O)C(O)C(O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.37
PGD P52209 2/20 0.36
RAB9A P51151 1/20 0.35
RNPEP Q9H4A4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL30616867 1.00 TSHR (0.46) TSHRALDH1A1TP53HTTPGD
SCHEMBL5481281 0.91 TSHR (0.50) TSHRALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL8636456 0.91 TSHR (0.50) TSHRALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL7773088 0.86 TSHR (0.46) TSHRTP53HTTPGD
SCHEMBL537156 0.86 TSHR (0.46) TSHRTP53HTTPGD
SCHEMBL2953433 0.86 TSHR (0.37) TSHRALDH1A1TP53HTTPGD
Ether SCHEMBL2956578 0.86 TSHR (0.34) TSHRALDH1A1SMN1; SMN2
SCHEMBL15512566 0.85 TSHR (0.40) TSHRTP53HTTPGD
Ether SCHEMBL2960153 0.83 TSHR (0.36) TSHRALDH1A1
SCHEMBL2962715 0.82 TSHR (0.37) TSHRALDH1A1TP53HTTPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106349089-B Method for extracting and separating metoprolol enantiomer by adopting tartrate-polyacid complex 湖南理工学院 2021-04-02 CN claimed
CN-106349089-A Method using tartrate-polybasic acid complex to extract and separate metoprolol enantiomer 湖南理工学院 2017-01-25 CN claimed
CN-103922877-B Double-aqueous phase system chiral separation Omprazole compound 湖南如虹制药有限公司 2016-07-06 CN claimed
CN-103951653-B The method of two-phase identification fractional extraction separation pantoprazole sodium enantiomers 湖南理工学院 2016-06-29 CN claimed
CN-104277030-B A kind of reaction, extraction is separated the method for pantoprazole enantiomers HUNAN TECHNOLOGY COLLEGE (CN) 2016-04-20 CN claimed
CN-103951653-A Method for performing two-phase recognizing, fractionating, extracting and separating on pantoprazole sodium enantiomer HUNAN INST SCIENCE & TECH 2014-07-30 CN claimed
CN-103922877-A Chiral resolution of prazole compound by aqueous two-phase system HUNAN RHON PHARMACEUTICAL CO LTD 2014-07-16 CN claimed
CN-102001904-A Novel chiral separation method HUNAN INST SCIENCE & TECH 2011-04-06 CN claimed
US-20230339839-A1 SYNTHESIS METHOD OF ALPHA-HYDROXYCARBOXYLIC ACID ESTER Guangxi Forestry Research Institute (CN) 2023-10-26 US disclosed
CN-112724103-A Isopromazine specific impurity and analysis method and removal method thereof 广安凯特制药有限公司 2021-04-30 CN disclosed
CN-106349089-B Method for extracting and separating metoprolol enantiomer by adopting tartrate-polyacid complex 湖南理工学院 2021-04-02 CN disclosed
CN-106349089-A Method using tartrate-polybasic acid complex to extract and separate metoprolol enantiomer 湖南理工学院 2017-01-25 CN disclosed
CN-103951653-B The method of two-phase identification fractional extraction separation pantoprazole sodium enantiomers 湖南理工学院 2016-06-29 CN disclosed
CN-103951653-B The method of two-phase identification fractional extraction separation pantoprazole sodium enantiomers 湖南理工学院 2016-06-29 CN disclosed
US-20070275022-A1 Cosmetic Hair Preparation LION CORPORATION (JP) 2007-11-29 US disclosed
US-20060281692-A1 Use of derivatives of succinate esters for the treatment of dementia BEIJING LIANXIN PHARMACEUTIC CO., LTD. (CN) 2006-12-14 US disclosed
CN-1731991-A Use of succinic acid derivative ester compounds for treating dementia INST MATERIA MEDICA CAMS (CN) 2006-02-08 CN disclosed
CN-1712057-A Preparation of succinic acid carbobenzoxy derivative of orchid family plant effective part DRUG INST CHINESE ACADEMY OF M (CN) 2005-12-28 CN disclosed
EP-1582209-A1 THE USE OF SUCCINATE DERIVATIVE ESTERS FOR THE TREATMENT OF DEMENTIA THE INSTITUTE OF MATERIA MEDICA OF CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2005-10-05 EP disclosed
CN-1511520-A Use of succinate derivative for biologically treating dementia �й�ҽѧ��ѧԺҩ���о��� 2004-07-14 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 (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-20070275022-A1 Cosmetic Hair Preparation CUTA, H1-10, PUF60 TSHR 3396/4885ALDH1A1 1020/4885TP53 1184/4885
US-20060281692-A1 Use of derivatives of succinate esters for the treatment of dementia BCHE, ACHE, SI TSHR 4795/4885ALDH1A1 3854/4885TP53 1177/4885

“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.