SCHEMBL3903112

SCHEMBL3903112

Cc1ccc(C2=CCC(C)(C)c3cc(C(=O)C=Cc4ccc(C(=O)OCC[Si](C)(C)C)cc4)ccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.42
RARG P13631 6/20 0.42
RARA P10276 6/20 0.42
RXRA P19793 1/20 0.42
NR2E1 Q9Y466 1/20 0.42
MAOB P27338 5/20 0.39
MAPT P10636 3/20 0.38
MAOA P21397 3/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
HSP90AA1 P07900 1/20 0.35
DNMT1 P26358 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
SCHEMBL3903109 1.00 RARB (0.42) RARBRARGRARARXRANR2E1
SCHEMBL5707512 0.91 RARA (0.42) RARBRARGRARARXRANR2E1
SCHEMBL5707516 0.91 RARA (0.42) RARBRARGRARARXRANR2E1
SCHEMBL14047272 0.90 RARB (0.43) RARBRARGRARARXRANR2E1
SCHEMBL3901447 0.88 RARB (0.40) RARBRARGRARARXRANR2E1
SCHEMBL3901451 0.88 RARB (0.40) RARBRARGRARARXRANR2E1
SCHEMBL4416198 0.88 MAPT (0.39) RARBRARGRARARXRANR2E1
SCHEMBL4416196 0.88 MAPT (0.39) RARBRARGRARARXRANR2E1
SCHEMBL3893957 0.87 MAPT (0.40) MAOBMAPTMAOAMEN1LMNA
SCHEMBL3893954 0.87 MAPT (0.40) MAOBMAPTMAOAMEN1LMNA

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 7 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
EP-1701934-A2 DISUBSTITUTED CHALCONE OXIMES HAVING RAR(Gamma)-RETINOID RECEPTOR ANTAGONIST ACTIVITY Allergan, Inc. (US) 2006-09-20 EP disclosed
US-20050165095-A1 Disubstituted chalcone oximes having RARy retinoid receptor antagonist activity ALLERGAN, INC. 2005-07-28 US disclosed
WO-2005066115-A2 DISUBSTITUTED CHALCONE OXIMES HAVING RARϜ RETINOID RECEPTOR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2005-07-21 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 (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.