SCHEMBL9764293

SCHEMBL9764293

COCCOC(=O)C(C)Br

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 2/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.30
RAB9A P51151 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
SCHEMBL10977023 0.94 TSHR (0.37) TSHRCA12CA1CA2CA9
SCHEMBL435016 0.90 TSHR (0.33) TSHRALDH1A1ZDHHC7
SCHEMBL23084724 0.85 ALDH1A1 (0.47) TSHRALDH1A1ZDHHC7
SCHEMBL3683189 0.80 NAAA (0.38) TSHRALDH1A1
SCHEMBL3678777 0.80 ALDH1A1 (0.37) TSHRALDH1A1ZDHHC7
SCHEMBL863124 0.80 TSHR (0.43) TSHRCA12CA1CA2CA9
SCHEMBL19972984 0.79 TSHR (0.39) TSHRCA12CA1CA2CA9
SCHEMBL3128512 0.79 ZDHHC7 (0.42) TSHRCA12CA1CA2CA9
SCHEMBL3020917 0.78 TSHR (0.42) TSHRCA12CA1CA2CA9
SCHEMBL214602 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117050217-A Method for preparing polymer with controllable dispersity by supermolecule induced switchable chain transfer reagent 吉林大学 2023-11-14 CN disclosed
US-9982070-B2 Aqueous ATRP in the presence of an activator regenerator CARNEGIE MELLON UNIVERSITY (US) 2018-05-29 US disclosed
US-20170253685-A1 BLOCK COPOLYMERS THAT CAN BE USED AS PLASTICISERS STARCIN HOLDING FRANCE (FR) 2017-09-07 US disclosed
US-20160200840-A1 AQUEOUS ATRP IN THE PRESENCE OF AN ACTIVATOR REGENERATOR CARNEGIE MELLON UNIVERSITY 2016-07-14 US disclosed
US-20080095699-A1 IMAGING CONTRAST AGENTS USING NANOPARTICLES CARESTREAM HEALTH, INC. 2008-04-24 US disclosed
US-RE33745-E Thiadiazabicyclononane derivatives, processes for their production and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-11-19 US disclosed
EP-0238711-B1 THIADIAZABICYCLONONANE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND HERBIZIDAL COMPOSITIONS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-11-28 EP disclosed
US-4816063-A PLANT GROWTH REGULATORS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-03-28 US disclosed
EP-0238711-A1 Thiadiazabicyclononane derivatives, processes for their production and herbizidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-09-30 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 (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-20080095699-A1 IMAGING CONTRAST AGENTS USING NANOPARTICLES CD47, MSN, CLTA TSHR 2213/4885CA12 170/4885CA1 381/4885

“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.