SCHEMBL3318236

SCHEMBL3318236

CC(C)(C)[Si](C)(C)Oc1ccc(Br)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA9 Q16790 4/20 0.38
PREP P48147 3/20 0.34
CNR2 P34972 1/20 0.31
LMNA P02545 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 2/20 0.31
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
RARA P10276 1/20 0.31
HSPD1 P10809 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
GOT1 P17174 1/20 0.31
GLRA1 P23415 1/20 0.31
BLM P54132 1/20 0.31
HSPE1 P61604 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5828207 0.77 RARA (0.35) CA12CA1CA9LMNAMEN1
SCHEMBL3313281 0.77 HDAC11 (0.32) CNR2LMNAMEN1KMT2ANR1I2
SCHEMBL404791 0.76 HDAC11 (0.36) LMNAMEN1KMT2ANR1I2PGR
SCHEMBL3892539 0.75 RARB (0.59) CA12CA1CA9LMNAMEN1
SCHEMBL8660077 0.74 RARA (0.38) CA12CA1CA9LMNAMEN1
SCHEMBL13330393 0.73 HTT (0.35) CNR2MEN1KMT2AALDH1A1
SCHEMBL8796347 0.73 RARA (0.31) LMNAMEN1KMT2ANR1I2PGR
SCHEMBL22128458 0.71 CA12 (0.46) CA12CA1CA9PREP
SCHEMBL23212248 0.70 CA12 (0.34) CA12CA1CA9PREPPOLB
SCHEMBL8398381 0.70 RARB (0.37) LMNAMEN1KMT2ANR1I2PGR

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 CA12 1439/4885CA1 527/4885CA9 1679/4885

“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.