SCHEMBL4861078

SCHEMBL4861078

CCOc1c(C(C)C)cc(C(C)C)cc1C(O)c1cc(Br)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.35
RARG P13631 1/20 0.35
PPARG P37231 1/20 0.35
HMGCR P04035 2/20 0.35
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
RARA P10276 1/20 0.33
FABP4 P15090 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
APLNR P35414 2/20 0.32
GLRA1 P23415 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 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
SCHEMBL4851033 0.77 RXRA (0.44) RXRARARGPPARGHMGCRRXRB
SCHEMBL18068 0.75 L3MBTL1 (0.44) MEN1KMT2A
SCHEMBL10212529 0.74 RXRA (0.46) RXRARARGPPARGRXRBRXRG
SCHEMBL11264823 0.72 GABRA1 (0.50) RXRARARGPPARGGABRA1CA12
SCHEMBL12261433 0.71 GABRA1 (0.46) GABRA1APLNR
SCHEMBL31079293 0.71 GABRA1 (0.46) GABRA1APLNR
SCHEMBL4850986 0.70 RXRA (0.41) RXRARARGPPARGRXRBRXRG
Methoxymethane SCHEMBL27923058 0.70 APLNR (0.43) GABRA1APLNR
SCHEMBL20018179 0.69 HPGD (0.36) PPARGAPLNRTSHRKMT2A
SCHEMBL12290810 0.69 MAPT (0.37) MEN1TSHRKMT2A

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

“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.