SCHEMBL13330403

SCHEMBL13330403

COc1ccc(C(O)c2ccccc2)cc1C12CC3CC(C)(CC(C)(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
RXRA P19793 1/20 0.37
RARA P10276 6/20 0.36
RARB P10826 6/20 0.36
RARG P13631 6/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
NR1I2 O75469 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
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.33
EPHX2 P34913 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL13330411 0.91 CNR2 (0.40) CNR2RXRARARARARBRARG
SCHEMBL13330427 0.86 RXRA (0.36) CNR2RXRAKMT2AMEN1EPHX2
SCHEMBL13330402 0.84 RARA (0.49) CNR2RARARARBRARGKMT2A
SCHEMBL13330441 0.84 RXRA (0.33) RXRAPTPN11NR0B2
SCHEMBL13330432 0.80 RXRA (0.36) CNR2RXRARARARARBRARG
SCHEMBL13330447 0.79 RXRA (0.33) RXRAEPHX2PTPN11NR0B2
SCHEMBL13330416 0.77 SIGMAR1 (0.42) CNR2KMT2ALMNAMEN1EPHX2
SCHEMBL3311930 0.75 ALDH1A1 (0.38) RARARARBRARGKMT2ALMNA
SCHEMBL13330407 0.75 CNR2 (0.40) CNR2RXRARARARARBRARG
SCHEMBL13330414 0.75 CNR2 (0.44) CNR2RXRARARARARBRARG

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 2 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

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 CNR2 1967/4885RXRA 4589/4885RARA 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.