SCHEMBL3313324

SCHEMBL3313324

COc1cc(Br)cc(C23CC4CC(CC(C4)C2)C3)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.53
CNR2 P34972 3/20 0.53
ALOX12 P18054 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HDAC11 Q96DB2 2/20 0.39
HDAC2 Q92769 1/20 0.39
RARA P10276 2/20 0.39
RARB P10826 2/20 0.39
RARG P13631 2/20 0.39
LMNA P02545 2/20 0.39
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
HSPD1 P10809 1/20 0.39
GOT1 P17174 1/20 0.39
GLRA1 P23415 1/20 0.39

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
SCHEMBL25558996 0.90 FAAH (0.45) FAAHCNR2ALOX12ALDH1A1NPSR1
SCHEMBL1913997 0.83 FAAH (0.55) FAAHCNR2ALOX12ALDH1A1MEN1
SCHEMBL1914138 0.81 FAAH (0.62) FAAHCNR2ALDH1A1NPSR1MEN1
SCHEMBL3309247 0.79 HDAC11 (0.43) FAAHCNR2ALOX12ALDH1A1IDO1
SCHEMBL29535143 0.79 RARA (0.51) FAAHCNR2ALOX12ALDH1A1IDO1
SCHEMBL178217 0.79 RARA (0.51) FAAHCNR2ALOX12ALDH1A1IDO1
SCHEMBL28281248 0.78 HDAC11 (0.53) FAAHCNR2ALOX12ALDH1A1IDO1
SCHEMBL819782 0.78 RARA (0.50) FAAHCNR2ALOX12ALDH1A1IDO1
SCHEMBL23802247 0.78 RARA (0.43) FAAHCNR2ALOX12ALDH1A1NPSR1
SCHEMBL3307015 0.74 CNR2 (0.51) FAAHCNR2ALOX12ALDH1A1NPSR1

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 FAAH 1854/4885CNR2 1967/4885ALOX12 1507/4885

“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.