SCHEMBL10197407

SCHEMBL10197407

CC(C)(C)C(O)C(O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32

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
SCHEMBL10197405 1.00 TSHR (0.41) TSHRALDH1A1LMNASLC6A2SLC6A4
SCHEMBL19164023 1.00 TSHR (0.41) TSHRALDH1A1LMNASLC6A2SLC6A4
SCHEMBL888915 0.82
SCHEMBL888909 0.82
SCHEMBL19164010 0.82 TSHR (0.37) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL2526677 0.82 TSHR (0.37) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL2744382 0.82
SCHEMBL2508340 0.82 TSHR (0.32) TSHR
SCHEMBL17286791 0.79
SCHEMBL4631767 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102470361-B Reactive systems ELANTAS GMBH (DE) 2015-12-16 CN claimed
US-9056927-B2 Reactive systems ELANTAS GMBH (DE) 2015-06-16 US claimed
EP-2454017-B1 REACTIVE SYSTEMS ELANTAS GMBH (DE) 2015-03-18 EP claimed
CN-104387368-A Method for preparing dexilant SICHUAN HAIRONG PHARMACEUTICAL CO LTD YANGTZE RIVER PHARMACEUTICAL GROUP 2015-03-04 CN claimed
US-20120190787-A1 REACTIVE SYSTEMS ELANTAS GMBH (DE) 2012-07-26 US claimed
CN-102470361-A Reactive system ELANTAS GMBH 2012-05-23 CN claimed
CN-113045385-B Method for synthesizing aliphatic pinacol 广东工业大学 2022-08-02 CN disclosed
CN-113045385-A Method for synthesizing aliphatic pinacol 广东工业大学 2021-06-29 CN disclosed
CN-109750371-A Cross embroidery superbright light polyester filament and preparation method thereof 江苏恒力化纤股份有限公司 2019-05-14 CN disclosed
CN-109750373-A High-strength activates polyester industrial yarn and preparation method thereof 江苏恒力化纤股份有限公司 2019-05-14 CN disclosed
CN-109750372-A Wool-Like polyester filament and preparation method thereof 江苏恒力化纤股份有限公司 2019-05-14 CN disclosed
CN-109735979-A The preparation method of the different dye-uptake low elastic polyester filament of iso-fineness 江苏恒力化纤股份有限公司 2019-05-10 CN disclosed
CN-109735918-A Imitative viscose glue polyester filament and preparation method thereof 江苏恒力化纤股份有限公司 2019-05-10 CN disclosed
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors NOVARTIS AG (CH) 2010-12-02 US disclosed
US-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors NOVARTIS AG (CH) 2010-12-02 US disclosed
US-7416868-B2 Polyene polyketides, processes for their production and their use as a pharmaceutical THALLION PHARMACEUTICALS, INC. (CA) 2008-08-26 US disclosed
US-7375088-B2 Polyene polyketides, processes for their production and their use as a pharmaceutical THALLION PHARMACEUTICALS INC. (CA) 2008-05-20 US disclosed
US-20070275436-A1 Polyene polyketides, processes for their production and their use as a pharmaceutical ECOPIA BIOSCIENCES, INC. 2007-11-29 US disclosed
US-7300921-B2 Polyene polyketides and methods of production ECOPIA BIOSCIENCES, INC. (CA) 2007-11-27 US 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-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors MME, AGTR1, REN TSHR 3209/4885ALDH1A1 852/4885LMNA 635/4885
US-20070275436-A1 Polyene polyketides, processes for their production and their use as a pharmaceutical IPMK, PANK3, PANK1 TSHR 4148/4885ALDH1A1 4091/4885LMNA 1798/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME TSHR 1328/4885ALDH1A1 2474/4885LMNA 589/4885

“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.