SCHEMBL25367247

SCHEMBL25367247

C=CC(=O)NCCCC.[Zr]

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.81
ZDHHC2 Q9UIJ5 1/20 0.81
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
EPHX1 P07099 5/20 0.48
ACHE P22303 8/20 0.45
MMP2 P08253 1/20 0.45
GAA P10253 1/20 0.44
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL117684 0.98
Fluoride SCHEMBL27694682 0.96 ZDHHC20 (0.81) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL773669 0.96 ZDHHC20 (0.81) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Hydrogen Sulfide SCHEMBL27823449 0.96 ZDHHC20 (0.81) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL14344158 0.96 ZDHHC20 (0.81) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Ammonia Solution, Strong SCHEMBL7047534 0.96 ZDHHC20 (0.81) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Hydrochloric Acid SCHEMBL15846841 0.96 ZDHHC20 (0.81) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL3279717 0.94 ZDHHC20 (0.72) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Dimethylamine SCHEMBL2500227 0.94 ZDHHC20 (0.78) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Trimethylammonium SCHEMBL688148 0.92 ZDHHC20 (0.75) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230415101-A1 METAL-ORGANIC FRAMEWORK MATERIAL SEPARATION MEMBRANE, PREPARATION METHOD THEREFOR, AND USE THEREOF BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2023-12-28 US disclosed
EP-4230284-A1 METAL-ORGANIC FRAMEWORK MATERIAL SEPARATION MEMBRANE, PREPARATION METHOD THEREFOR, AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2023-08-23 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-20230415101-A1 METAL-ORGANIC FRAMEWORK MATERIAL SEPARATION MEMBRANE, PREPARATION METHOD THEREFOR, AND USE THEREOF WASF2, SLC39A11, CYP4F11 ZDHHC20 3605/4885ZDHHC2 2598/4885TSHR 4339/4885

“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.