SCHEMBL13330451

SCHEMBL13330451

CC12CC3CC(C)(C1)CC(c1cccc4c1OCO4)(C3)C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.33
POLB P06746 1/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
MGAM O43451 1/20 0.32
AMY1A P0DUB6 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
GSK3B P49841 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
LMNA P02545 2/20 0.31
NPC1 O15118 1/20 0.31
SLC22A1 O15245 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL13330444 0.79 ABCG2 (0.38) EEDPOLBMGAMAMY1AGAA
SCHEMBL13330448 0.75 EPHX2 (0.32) EPHX2PTPN11NR0B2
SCHEMBL28090099 0.72 GRIN1 (0.39) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL13330457 0.70 GAA (0.36) EEDMGAMAMY1AGAASI
SCHEMBL2758406 0.69 EPHX2 (0.37) POLBGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL27829406 0.68 SLC6A2 (0.41) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL13330416 0.68 SIGMAR1 (0.42) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL27847914 0.66 GRIN1 (0.40) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL27829443 0.66 PNMT (0.37) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL28090104 0.65 GRIN1 (0.49) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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-20100113816-A1 METHOD FOR PREPARTION OF SUBSTITUTED ADAMANTYLARYMAGNESIUM HALIDES JSC GRINDEKS (LV) 2010-05-06 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-20100113816-A1 METHOD FOR PREPARTION OF SUBSTITUTED ADAMANTYLARYMAGNESIUM HALIDES AGL, MACROD1, MACROD2 EED 417/4885POLB 2650/4885GRIN1 391/4885

“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.