SCHEMBL4861540

SCHEMBL4861540

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.47
PPARG P37231 5/20 0.47
RARG P13631 4/20 0.47
RARB P10826 3/20 0.43
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
CYP17A1 P05093 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
FABP3 P05413 2/20 0.33
FABP4 P15090 2/20 0.33
FABP5 Q01469 1/20 0.33
HMGCR P04035 2/20 0.32
RARA P10276 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CNR2 P34972 1/20 0.31
KCNH2 Q12809 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
SCHEMBL4857191 0.83 RXRA (0.42) RXRAPPARGRARGRARBRXRB
SCHEMBL4860363 0.81 RXRA (0.46) RXRAPPARGRARGRARBRXRB
SCHEMBL4862597 0.79 RARB (0.43) RXRAPPARGRARGRARBRXRB
SCHEMBL4852964 0.79 RXRA (0.46) RXRAPPARGRARGRARBRXRB
SCHEMBL4862635 0.79 GABRA1 (0.36) RXRAPPARGRARGRARBRXRB
SCHEMBL4852194 0.78 RXRA (0.46) RXRAPPARGRARGRARBRXRB
SCHEMBL4858958 0.76 GABRA1 (0.41) RXRAPPARGRARGGABRA1GABRB2
SCHEMBL15945501 0.71 GABRA1 (0.44) RXRAPPARGRARGRARBRXRB
SCHEMBL31063473 0.71 PTGS2 (0.35) RXRAPPARGRARGGABRA1GABRB2
SCHEMBL17931683 0.71 RXRA (0.38) RXRAPPARGRARGRARBRXRB

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 4 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-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

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.