SCHEMBL13330441

SCHEMBL13330441

CC12CC3CC(C)(C1)CC(c1cc(C(O)c4ccccc4)ccc1O[Si](C)(C)C(C)(C)C)(C3)C2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.33
PTPN11 Q06124 1/20 0.30
NR0B2 Q15466 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL13330447 0.93 RXRA (0.33) RXRAPTPN11NR0B2PTGS2
SCHEMBL13330435 0.87 RARA (0.35) RXRA
SCHEMBL13330403 0.84 CNR2 (0.38) RXRAPTPN11NR0B2
SCHEMBL13330436 0.81 GRIN2D (0.32)
SCHEMBL13330427 0.80 RXRA (0.36) RXRA
SCHEMBL3316211 0.80 TSHR (0.30) PTPN11NR0B2
SCHEMBL13330446 0.79 CNR2 (0.32) RXRA
SCHEMBL13330411 0.78 CNR2 (0.40) RXRAPTPN11NR0B2PTGS2
SCHEMBL3937176 0.77 CYP17A1 (0.41)
SCHEMBL13330432 0.74 RXRA (0.36) RXRA

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 1 patent. 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

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 RXRA 4589/4885PTPN11 4582/4885NR0B2 4481/4885

“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.