SCHEMBL805327

SCHEMBL805327

CC(=O)C1CCC2C3CC[C@@H]4C[C@H](OC(=O)[C@H](CC(=O)O)Nc5ccc(N=O)c6nonc56)CC[C@]4(C)C3CC[C@]12C

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ST6GAL1 P15907 9/20 0.63
ST3GAL1 Q11201 2/20 0.63
ST3GAL3 Q11203 1/20 0.63
GRIN1 Q05586 2/20 0.52
GRIN2B Q13224 2/20 0.52
GRIN2D O15399 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2C Q14957 1/20 0.44
G6PD P11413 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
SCHEMBL801929 0.89 ST6GAL1 (0.79) ST6GAL1ST3GAL1ST3GAL3GRIN1GRIN2B
SCHEMBL18576098 0.73 ST6GAL1 (1.00) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL29354917 0.73 ST6GAL1 (1.00) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL22989853 0.71 GRIN1 (0.66) ST6GAL1GRIN1GRIN2BGRIN2DGRIN2A
SCHEMBL7354723 0.71 GRIN1 (0.70) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL7420800 0.71 GRIN1 (0.70) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL7420797 0.71 GRIN1 (0.70) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL18346659 0.71 GRIN1 (0.65) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL18346660 0.71 GRIN1 (0.65) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL22989911 0.71 GRIN1 (0.62) ST6GAL1GRIN1GRIN2BGRIN2DGRIN2A

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-20120071453-A1 STEROIDE ANIONIC COMPOUNDS, METHOD OF THEIR PRODUCTION, USAGE AND PHARMACEUTICAL PREPARATION INVOLVING THEM PSYCHIATRICKE CENTRUM PRAHA (CZ) 2012-03-22 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-20120071453-A1 STEROIDE ANIONIC COMPOUNDS, METHOD OF THEIR PRODUCTION, USAGE AND PHARMACEUTICAL PREPARATION INVOLVING THEM GRIN2A, GRIN2B, GRIN1 ST6GAL1 1424/4885ST3GAL1 3314/4885ST3GAL3 2379/4885

“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.