SCHEMBL3313383

SCHEMBL3313383

CC(C)(C)[Si](C)(C)Oc1ccc([Mg]Br)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.34
RARB P10826 3/20 0.34
RARG P13631 3/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
NR1I2 O75469 1/20 0.34
PGR P06401 1/20 0.34
HSPD1 P10809 1/20 0.34
GOT1 P17174 1/20 0.34
GLRA1 P23415 1/20 0.34
BLM P54132 1/20 0.34
HSPE1 P61604 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC11 Q96DB2 2/20 0.32
HDAC2 Q92769 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 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
SCHEMBL404791 0.83 HDAC11 (0.36) RARARARBRARGLMNAMEN1
SCHEMBL852181 0.81 RARA (0.48) RARARARBRARGLMNAMEN1
SCHEMBL5828207 0.79 RARA (0.35) RARARARBRARGLMNAMEN1
SCHEMBL5828203 0.79 RARA (0.35) RARARARBRARGLMNAMEN1
SCHEMBL8766824 0.79 RARA (0.41) RARARARBRARGLMNAMEN1
SCHEMBL13330393 0.79 HTT (0.35) MEN1KMT2AALDH1A1
SCHEMBL8461452 0.78 RARA (0.45) RARARARBRARGLMNAMEN1
SCHEMBL9130746 0.78 RARA (0.45) RARARARBRARGLMNAMEN1
SCHEMBL8765783 0.78 RARA (0.35) RARARARBRARGLMNAMEN1
SCHEMBL7687188 0.78 RARA (0.47) RARARARBRARGLMNAMEN1

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 3 patents. 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
EP-2129679-A2 A METHOD FOR PREPARATION OF SUBSTITUTED ADAMANTYLARYLMAGNESIUM HALIDES Grindeks, a joint stock company (LV) 2009-12-09 EP disclosed
WO-2008080993-A2 A METHOD FOR PREPARATION OF SUBSTITUTED ADAMANTYLARYLMAGNESIUM HALIDES KALVINSH IVARS (LV) 2008-07-10 WO 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 RARA 4739/4885RARB 4813/4885RARG 4518/4885

“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.