SCHEMBL3906211

SCHEMBL3906211

Cc1ccc(C2=CC(C)(C)c3cc(C(C=Cc4ccc(C(=O)O)cc4F)=NO)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.36
RARG P13631 8/20 0.36
RARA P10276 8/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
IP6K1 Q92551 1/20 0.34
IP6K3 Q96PC2 1/20 0.34
IP6K2 Q9UHH9 1/20 0.34
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 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
SCHEMBL13937681 1.00 RARB (0.36) RARBRARGRARAKDM4EALDH1A1
SCHEMBL3907095 1.00 RARB (0.36) RARBRARGRARAKDM4EALDH1A1
SCHEMBL3906208 1.00 RARB (0.36) RARBRARGRARAKDM4EALDH1A1
SCHEMBL3906203 1.00 RARB (0.36) RARBRARGRARAKDM4EALDH1A1
SCHEMBL14029037 0.92 NFE2L2 (0.33)
SCHEMBL3894316 0.87 RARB (0.49) RARBRARGRARA
SCHEMBL13938460 0.87 RARB (0.49) RARBRARGRARA
SCHEMBL3894327 0.87 RARB (0.49) RARBRARGRARA
SCHEMBL3907997 0.87 RARB (0.49) RARBRARGRARA
SCHEMBL3894321 0.87 RARB (0.49) RARBRARGRARA

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.