SCHEMBL4856035

SCHEMBL4856035

CC(C)(C)c1cc(B(O)O)c(OCC(F)(F)F)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.47
PPARG P37231 11/20 0.47
RXRB P28702 4/20 0.47
RXRG P48443 4/20 0.47
RARG P13631 4/20 0.47
RARA P10276 3/20 0.47
RARB P10826 3/20 0.47
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
ELANE P08246 1/20 0.32
CD69 Q07108 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
THRB P10828 1/20 0.32
G6PD P11413 1/20 0.32

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
SCHEMBL4863445 0.82 RXRA (0.44) RXRAPPARGRXRBRXRGRARG
SCHEMBL10019865 0.81 RXRA (0.46) RXRAPPARGRXRBRXRGRARG
SCHEMBL14203397 0.80 RXRA (0.49) RXRAPPARGRXRBRXRGRARG
SCHEMBL4852936 0.79 RXRA (0.46) RXRAPPARGRXRBRXRGRARG
SCHEMBL4863528 0.79 RXRA (0.46) RXRAPPARGRXRBRXRGRARG
SCHEMBL4855803 0.79 EGFR (0.34) RXRAPPARGRXRBRXRGRARG
SCHEMBL4860379 0.78 RXRA (0.47) RXRAPPARGRXRBRXRGRARG
SCHEMBL6478275 0.77 RXRA (0.44) RXRAPPARGRXRBRXRGRARG
SCHEMBL936302 0.76 RARG (0.41) RXRAPPARGRARGALDH1A1MAPT
SCHEMBL6472385 0.75 LIPE (0.49) RXRARXRBRXRGTHRBL3MBTL1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
EP-1373240-B1 RETINOID X RECEPTOR MODULATORS LILLY CO ELI (US) 2005-06-15 EP disclosed
US-20040167160-A1 Retinoid x receptor modulators LIGAND PHARMACEUTICALS INCORPORATED 2004-08-26 US disclosed
EP-1373240-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-01-02 EP disclosed
WO-2002071827-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2002-09-19 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-20040167160-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB RXRA 1/4885PPARG 18/4885RXRB 3/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB RXRA 1/4885PPARG 19/4885RXRB 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.