SCHEMBL4851033

SCHEMBL4851033

CCOc1c(C(=O)c2cc(Br)ccc2F)cc(C(C)C)cc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.44
PPARG P37231 7/20 0.44
RARG P13631 6/20 0.44
RARA P10276 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
RARB P10826 1/20 0.39
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
HMGCR P04035 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34

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
SCHEMBL4861078 0.77 RXRA (0.35) RXRAPPARGRARGRARARXRB
SCHEMBL10212529 0.68 RXRA (0.46) RXRAPPARGRARGRARARXRB
SCHEMBL4850986 0.68 RXRA (0.41) RXRAPPARGRARGRARARXRB
SCHEMBL961701 0.67 ALDH1A1 (0.52) HPGDSMN1; SMN2NPSR1CA12CA9
SCHEMBL19322250 0.65 POLB (0.39) RXRAPPARGRARGL3MBTL1POLB
SCHEMBL31063327 0.65 THRB (0.39) RXRAPPARGRARGSMN1; SMN2POLB
SCHEMBL4586917 0.65 RXRA (0.51) RXRAPPARGRARGRARARXRB
SCHEMBL1539232 0.65 MAPT (0.46) HPGDNPSR1POLBLMNAMEN1
SCHEMBL15145489 0.65 HPGD (0.46) HPGDNPSR1LMNAMEN1MAPT
SCHEMBL1173265 0.65 MEN1 (0.49) SMN1; SMN2NPSR1LMNAMEN1MAPT

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.