SCHEMBL4862938

SCHEMBL4862938

CCCCOc1c(I)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.46
PPARG P37231 4/20 0.46
RARG P13631 2/20 0.39
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
NR5A2 O00482 1/20 0.37
NR5A1 Q13285 1/20 0.37
TLR4 O00206 3/20 0.34
CD14 P08571 3/20 0.34
LY96 Q9Y6Y9 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ESR1 P03372 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
RARA P10276 1/20 0.31
APP P05067 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
SCHEMBL14594240 0.83 RXRA (0.47) RXRAPPARGRARGRXRBRXRG
SCHEMBL6473245 0.81 RXRA (0.46) RXRAPPARGRARGRXRBRXRG
SCHEMBL4860379 0.79 RXRA (0.47) RXRAPPARGRARGRXRBRXRG
SCHEMBL7921786 0.79 RXRA (0.47) RXRAPPARGRARGRXRBRXRG
SCHEMBL4863528 0.77 RXRA (0.46) RXRAPPARGRARGRXRBRXRG
SCHEMBL6605721 0.77 RXRA (0.48) RXRAPPARGRARGRXRBRXRG
SCHEMBL6472679 0.76 THRA (0.46) RXRAPPARGRARGRXRBRXRG
SCHEMBL4860880 0.76 RXRA (0.47) RXRAPPARGRARGRXRBRXRG
SCHEMBL6606945 0.76 RXRA (0.61) RXRAPPARGRARGRXRBRXRG
SCHEMBL6608332 0.76 RXRA (0.45) RXRAPPARGRARGRXRBRXRG

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 18/4885RARG 5/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB RXRA 1/4885PPARG 19/4885RARG 5/4885

“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.