SCHEMBL4860880

SCHEMBL4860880

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.47
PPARG P37231 12/20 0.47
RXRB P28702 6/20 0.46
RXRG P48443 6/20 0.46
RARA P10276 5/20 0.46
RARB P10826 5/20 0.46
RARG P13631 4/20 0.46
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL14203397 0.80 RXRA (0.49) RXRAPPARGRXRBRXRGRARA
SCHEMBL4863528 0.79 RXRA (0.46) RXRAPPARGRXRBRXRGRARA
SCHEMBL6705749 0.77 RXRA (0.67) RXRAPPARGRXRBRXRGRARA
SCHEMBL6705747 0.77 RXRA (0.67) RXRAPPARGRXRBRXRGRARA
SCHEMBL4862938 0.76 RXRA (0.46) RXRAPPARGRXRBRXRGRARA
SCHEMBL6838138 0.74 RARG (0.39) RXRAPPARGRARGCYP3A4TSHR
SCHEMBL6706973 0.74 RXRA (0.42) RXRAPPARGRXRBRXRGRARA
SCHEMBL6833506 0.73 RXRA (0.61) RXRAPPARGRXRBRXRGRARA
SCHEMBL6707048 0.72 RXRA (0.70) RXRAPPARGRXRBRXRGRARA
SCHEMBL6706020 0.72 RXRA (0.61) RXRAPPARGRXRBRXRGRARA

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 13 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-20040248919-A1 Fluorinated trienes and their use as rxr modulators ELI LILLY AND COMPANY 2004-12-09 US 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
EP-1368296-A1 FLUORINATED TRIENES AND THEIR USE AS RXR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
WO-2002071827-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2002-09-19 WO disclosed
WO-2002072528-A1 FLUORINATED TRIENES AND THEIR USE AS RXR 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 (3 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-20040248919-A1 Fluorinated trienes and their use as rxr modulators RXRA, THRA, RXRB RXRA 1/4885PPARG 20/4885RXRB 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.