SCHEMBL3313281

SCHEMBL3313281

CC(C)(C)[Si](C)(C)Oc1cc(Br)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 2/20 0.32
HDAC2 Q92769 1/20 0.32
RARA P10276 3/20 0.32
RARB P10826 3/20 0.32
RARG P13631 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 2/20 0.32
NR1I2 O75469 1/20 0.32
PGR P06401 1/20 0.32
HSPD1 P10809 1/20 0.32
GOT1 P17174 1/20 0.32
GLRA1 P23415 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32
TDP1 Q9NUW8 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 0.90 HDAC11 (0.36) HDAC11HDAC2RARARARBRARG
SCHEMBL8660077 0.86 RARA (0.38) HDAC11HDAC2RARARARBRARG
SCHEMBL8796347 0.85 RARA (0.31) RARARARBRARGMEN1KMT2A
SCHEMBL13330393 0.83 HTT (0.35) MEN1KMT2AFAAHCNR2HTT
SCHEMBL8398381 0.82 RARB (0.37) HDAC11HDAC2RARARARBRARG
SCHEMBL3309247 0.81 HDAC11 (0.43) HDAC11HDAC2RARARARBRARG
SCHEMBL13330446 0.77 CNR2 (0.32) RARARARBRARGMEN1KMT2A
SCHEMBL3318236 0.77 CA12 (0.38) RARARARBRARGMEN1KMT2A
SCHEMBL3313383 0.76 RARA (0.34) HDAC11HDAC2RARARARBRARG
SCHEMBL8910587 0.76

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 6 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
EP-0776881-B1 Bi-aromatic compounds comprising an adamantyl group in para-position, pharmaceutical and cosmetic compositions containing them and their utilization CIRD GALDERMA (FR) 1999-12-08 EP disclosed
US-5877342-A SKIN DISORDERS; RESPIRATORY SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUIES GALDERMA (FR) 1999-03-02 US disclosed
EP-0776881-A1 Bi-aromatic compounds comprising an adamantyl group in para-position, pharmaceutical and cosmetic compositions containing them and their utilization CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-06-04 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-20100113816-A1 METHOD FOR PREPARTION OF SUBSTITUTED ADAMANTYLARYMAGNESIUM HALIDES AGL, MACROD1, MACROD2 HDAC11 613/4885HDAC2 121/4885RARA 4739/4885

“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.