SCHEMBL7025404

SCHEMBL7025404

CC1(C)C2CC3CC(C2)CC1(NP(=O)(NC12CC4CC(CC(C4)C1(C)C)C2)NC12CC4CC(CC(C4)C1(C)C)C2)C3

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 2/20 0.33
EPHX2 P34913 2/20 0.32
EPHX1 P07099 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
NPC1 O15118 2/20 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
SCHEMBL19990174 0.66 GRIN2D (0.33) NPSR1GAAGRIN2DGRIN3BGRIN1
SCHEMBL7147320 0.66 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5248488 0.65 THRB (0.36) GAAEPHX2EPHX1ALDH1A1
SCHEMBL6860976 0.65 GAA (0.38) GAAEPHX2EPHX1ALDH1A1NPC1
SCHEMBL5616152 0.65 GAA (0.39) GAAEPHX2EPHX1ALDH1A1NPC1
SCHEMBL6860223 0.65 NPSR1 (0.42) MEN1KMT2ANPSR1GAA
SCHEMBL811709 0.65 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6854374 0.64 EPHX1 (0.34) GAAEPHX2EPHX1ALDH1A1NPC1
Bicarbonate SCHEMBL28147558 0.64 THRB (0.35) GAAEPHX2EPHX1ALDH1A1NPC1
SCHEMBL2849062 0.64 ALDH1A1 (0.39) GAAEPHX2EPHX1ALDH1A1NPC1

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-20030109736-A1 Phosphorus compound DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-12 US disclosed
EP-1277758-A1 PHOSPHORUS COMPOUND Daicel Chemical Industries, Ltd. (JP) 2003-01-22 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-20030109736-A1 Phosphorus compound NR4A1, POLL, NR0B1 MEN1 3976/4885KMT2A 1756/4885NPSR1 375/4885

“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.