SCHEMBL3901451

SCHEMBL3901451

Cc1ccc(C2=CCC(C)(C)c3cc(C(=O)C=Cc4ccc(C(=O)OCC[Si](C)(C)C)cc4F)ccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.40
RARG P13631 11/20 0.40
RARA P10276 11/20 0.40
KLKB1 P03952 1/20 0.34
RXRA P19793 1/20 0.34
NR2E1 Q9Y466 1/20 0.34
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RELA Q04206 2/20 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
SCHEMBL3901447 1.00 RARB (0.40) RARBRARGRARAKLKB1RXRA
SCHEMBL13938458 0.91 RARA (0.41) RARBRARGRARAKLKB1RXRA
SCHEMBL4427025 0.89 CYP1A1 (0.32) KLKB1RELA
SCHEMBL4427026 0.89 CYP1A1 (0.32) KLKB1RELA
SCHEMBL3901996 0.88 KLKB1 (0.35) KLKB1POLBHSP90AA1RELA
SCHEMBL3902000 0.88 KLKB1 (0.35) KLKB1POLBHSP90AA1RELA
SCHEMBL3903109 0.88 RARB (0.42) RARBRARGRARARXRANR2E1
SCHEMBL3903112 0.88 RARB (0.42) RARBRARGRARARXRANR2E1
SCHEMBL4417582 0.80 MAOB (0.36) RARGRARAKLKB1RXRARELA
SCHEMBL4417578 0.80 MAOB (0.36) RARGRARAKLKB1RXRARELA

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
EP-1701934-B1 DISUBSTITUTED CHALCONE OXIMES HAVING RAR(Gamma)-RETINOID RECEPTOR ANTAGONIST ACTIVITY ALLERGAN INC (US) 2009-02-25 EP disclosed
US-7432388-B2 Disubstituted chalcone oximes having RARγ retinoid receptor antagonist activity ALLERGAN, INC. (US) 2008-10-07 US disclosed
US-20080097119-A1 Disubstituted chalcone oximes having RARgamma retinoid receptor antagonist activity TSANG KWOK Y 2008-04-24 US disclosed
US-7253319-B2 Disubstituted chalcone oximes having RARγ retinoid receptor antagonist activity ALLERGAN, INC. (US) 2007-08-07 US disclosed
US-20050165095-A1 Disubstituted chalcone oximes having RARy retinoid receptor antagonist activity ALLERGAN, INC. 2005-07-28 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 (2 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-20080097119-A1 Disubstituted chalcone oximes having RARgamma retinoid receptor antagonist activity RARG, RARB, RARA RARB 2/4885RARG 1/4885RARA 3/4885
US-20050165095-A1 Disubstituted chalcone oximes having RARy retinoid receptor antagonist activity RARB, RARG, RARA RARB 1/4885RARG 2/4885RARA 3/4885

“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.