SCHEMBL16628394

SCHEMBL16628394

CCCN(CCC)C(O)=S.NC(O)=S.[KH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.50
CA2 P00918 5/20 0.50
CA9 Q16790 5/20 0.50
CA1 P00915 4/20 0.50
ALDH1A1 P00352 3/20 0.33
ALDH2 P05091 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRIN2D O15399 3/20 0.32
GRIN3B O60391 3/20 0.32
GRIN1 Q05586 3/20 0.32
GRIN2A Q12879 3/20 0.32
GRIN2B Q13224 3/20 0.32
GRIN2C Q14957 3/20 0.32
GRIN3A Q8TCU5 3/20 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
SCHEMBL442022 0.97 CA12 (0.52) CA12CA2CA9CA1ALDH1A1
Ammonia Solution, Strong SCHEMBL11858080 0.95 CA12 (0.50) CA12CA2CA9CA1ALDH1A1
SCHEMBL8993636 0.95 CA12 (0.50) CA12CA2CA9CA1ALDH1A1
SCHEMBL15157751 0.95 CA12 (0.50) CA12CA2CA9CA1ALDH1A1
SCHEMBL1535817 0.89 CA12 (0.60) CA12CA2CA9CA1ALDH1A1
SCHEMBL21801816 0.87 CA12 (0.57) CA12CA2CA9CA1ALDH1A1
Hydrochloric Acid SCHEMBL10823081 0.87 CA12 (0.57) CA12CA2CA9CA1ALDH1A1
Propene SCHEMBL11346744 0.87 CA12 (0.43) CA12CA2CA9CA1ALDH1A1
SCHEMBL8770741 0.86 ALDH1A1 (0.50) CA12CA2CA9CA1ALDH1A1
SCHEMBL10891819 0.85 CA12 (0.41) CA12CA2CA9CA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113528820-A Cobalt removing agent and zinc sulfate electrolytic solution cobalt removing method 湖南福尔程环保科技有限公司 2021-10-22 CN claimed
CN-113528820-A Cobalt removing agent and zinc sulfate electrolytic solution cobalt removing method 湖南福尔程环保科技有限公司 2021-10-22 CN disclosed
EP-2860170-B1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE OSAKA ORGANIC CHEMICAL IND LTD (JP) 2019-08-28 EP disclosed
US-9670129-B2 Process for preparing 4-hydroxybutyl acrylate OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2017-06-06 US disclosed
US-20150126766-A1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2015-05-07 US disclosed
EP-2860170-A1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE Osaka Organic Chemical Ind., Ltd. (JP) 2015-04-15 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-20150126766-A1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE LTB4R2, LTA4H, LTB4R CA12 4614/4885CA2 4547/4885CA9 4176/4885

“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.