SCHEMBL6200830

SCHEMBL6200830

CC(C)(CBr)C(C)(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
TRPA1 O75762 1/20 0.32
TET2 Q6N021 1/20 0.30

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
SCHEMBL11287393 0.76 TSHR (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL16382875 0.74 TSHR (0.40) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL6937150 0.74 TSHR (0.40) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Hydrochloric Acid SCHEMBL11280986 0.74 TSHR (0.35) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL83786 0.72 TSHR (0.55) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL18970410 0.72 KDM4E (0.42) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL16675272 0.72 TSHR (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL85493 0.71 TSHR (0.57) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL791722 0.71
SCHEMBL314782 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110790721-B Synthetic method of ceftazidime side chain ethyl ester 山东金城医药化工有限公司 2021-10-22 CN claimed
CN-108576835-B Juicing device used in fruit and vegetable processing and working method thereof 徐州工程学院 2021-03-19 CN claimed
CN-115353581-A Coating agent in charged cleaning agent for network communication equipment and preparation method 天津维诺嘉华科技有限公司 2022-11-18 CN disclosed
CN-113336678-B Electron-rich condensed ring aryl nitrone fluorescent probe and preparation and application thereof 华中科技大学 2022-05-17 CN disclosed
CN-110790721-B Synthetic method of ceftazidime side chain ethyl ester 山东金城医药化工有限公司 2021-10-22 CN disclosed
CN-113372292-A Preparation method of ceftazidime side chain acid 山东昌邑四方医药化工有限公司 2021-09-10 CN disclosed
CN-110143902-B Selenium-containing chalcone derivative Compound1, synthesis method and application in non-alcoholic steatohepatitis resisting medicine 天津科技大学 2021-06-04 CN disclosed
CN-108576835-B Juicing device used in fruit and vegetable processing and working method thereof 徐州工程学院 2021-03-19 CN disclosed
CN-110143890-B Chalcone derivative, synthesis method and application of chalcone derivative in preparation of non-alcoholic steatohepatitis resistant medicine 天津科技大学 2020-12-22 CN disclosed
EP-1372656-B1 PYRAZOLO[4,3-D]PYRIMIDINONE COMPOUNDS AS CGMP PDE INHIBITORS PFIZER LTD (GB) 2005-06-22 EP disclosed
US-6784185-B2 PYRAZOLO(4,3-D) PYRIMIDINONE COMPOUNDS USEFUL AS CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASES (CGMP PDES) INHIBITOR PFIZER INC. 2004-08-31 US disclosed
US-20020198223-A1 Pharmaceutically active compounds PFIZER INC. 2002-12-26 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 (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-20020198223-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A TSHR 2852/4885ALDH1A1 298/4885CYP2D6 271/4885

“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.