SCHEMBL3311930

SCHEMBL3311930

COc1ccc(Br)cc1C12CC3CC(C)(CC(C)(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HDAC11 Q96DB2 2/20 0.37
HDAC2 Q92769 1/20 0.37
RARA P10276 2/20 0.36
RARB P10826 2/20 0.36
RARG P13631 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
PGR P06401 1/20 0.36
HSPD1 P10809 1/20 0.36
GOT1 P17174 1/20 0.36
GLRA1 P23415 1/20 0.36
BLM P54132 1/20 0.36
HSPE1 P61604 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL3312702 0.89 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ATDP1KDM1A
SCHEMBL3316211 0.82 TSHR (0.30) PTPN11NR0B2
SCHEMBL178217 0.81 RARA (0.51) ALDH1A1MEN1KMT2AHDAC11HDAC2
SCHEMBL29535143 0.81 RARA (0.51) ALDH1A1MEN1KMT2AHDAC11HDAC2
SCHEMBL13330416 0.80 SIGMAR1 (0.42) MEN1KMT2ALMNAHTR2CGAA
SCHEMBL28281248 0.80 HDAC11 (0.53) ALDH1A1MEN1KMT2AHDAC11HDAC2
SCHEMBL819782 0.80 RARA (0.50) ALDH1A1MEN1KMT2AHDAC11HDAC2
SCHEMBL30076513 0.76 HDAC11 (0.40) ALDH1A1MEN1KMT2AHDAC11HDAC2
SCHEMBL30076502 0.76 HDAC11 (0.40) ALDH1A1MEN1KMT2AHDAC11HDAC2
SCHEMBL13330403 0.75 CNR2 (0.38) ALDH1A1MEN1KMT2AHDAC11HDAC2

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 5 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
US-20100113816-A1 METHOD FOR PREPARTION OF SUBSTITUTED ADAMANTYLARYMAGNESIUM HALIDES JSC GRINDEKS (LV) 2010-05-06 US disclosed
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 ALDH1A1 1779/4885MEN1 294/4885KMT2A 1169/4885

“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.