SCHEMBL4863528

SCHEMBL4863528

CC(C)(C)c1cc(I)c(OCC(F)(F)F)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.46
PPARG P37231 10/20 0.46
RXRB P28702 4/20 0.46
RXRG P48443 4/20 0.46
RARA P10276 3/20 0.46
RARB P10826 3/20 0.46
RARG P13631 3/20 0.46
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
THRB P10828 1/20 0.33
G6PD P11413 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL10019865 0.82 RXRA (0.46) RXRAPPARGRXRBRXRGRARA
SCHEMBL4856035 0.79 RXRA (0.47) RXRAPPARGRXRBRXRGRARA
SCHEMBL4860880 0.79 RXRA (0.47) RXRAPPARGRXRBRXRGRARA
SCHEMBL4862938 0.77 RXRA (0.46) RXRAPPARGRXRBRXRGRARA
SCHEMBL6838138 0.75 RARG (0.39) RXRAPPARGRARGALDH1A1HSP90AA1
SCHEMBL30183049 0.74 MAPT (0.50) RXRAPPARGRXRBRXRGRARA
SCHEMBL24314198 0.72 KDM4E (0.41) RXRARXRBRXRGALDH1A1MAPT
SCHEMBL29469845 0.72 KDM4E (0.41) RXRARXRBRXRGALDH1A1MAPT
SCHEMBL4859856 0.70 KDM4E (0.42) RXRAPPARGRXRBRXRGRARA
SCHEMBL2011293 0.69 KDM4E (0.41) ALDH1A1MAPTKDM4EMEN1USP2

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.