SCHEMBL20175277

SCHEMBL20175277

CC(OCC(=O)N(C)C)P(C)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA4 P43681 1/20 0.32
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MVD P53602 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
SCHEMBL7532438 0.74
SCHEMBL9911438 0.74 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA4SMN1; SMN2
SCHEMBL18811589 0.71 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA4SMN1; SMN2
SCHEMBL14759238 0.69 ALDH1A1 (0.37) CHRNB2CHRNB4CHRNA4SMN1; SMN2
SCHEMBL28234432 0.69 TPI1 (0.46) SMN1; SMN2MVD
SCHEMBL13301622 0.69 MVD (0.38) SMN1; SMN2MVD
SCHEMBL20175276 0.68 SMN1; SMN2 (0.33) SMN1; SMN2MVD
SCHEMBL28033074 0.64 KDM4E (0.39) CHRNB2CHRNB4CHRNA4SMN1; SMN2
SCHEMBL1258611 0.64 ALDH1A1 (0.42) CHRNB2CHRNB4CHRNA4SMN1; SMN2
SCHEMBL27998922 0.63 TSHR (0.50) GABBR2GABBR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180142321-A1 USE OF NOVEL COMPOUNDS FOR SELECTIVELY EXTRACTING RARE EARTHS FROM AQUEOUS SOLUTIONS INCLUDING PHOSPHORIC ACID AND ASSOCIATED EXTRACTION METHOD COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-05-24 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-20180142321-A1 USE OF NOVEL COMPOUNDS FOR SELECTIVELY EXTRACTING RARE EARTHS FROM AQUEOUS SOLUTIONS INCLUDING PHOSPHORIC ACID AND ASSOCIATED EXTRACTION METHOD HRH3, ALK, H1-0 CHRNB2 4389/4885CHRNB4 4283/4885CHRNA4 4182/4885

“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.