SCHEMBL4857191

SCHEMBL4857191

CCOc1c(B(O)O)cc(C(C)C)cc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.42
PPARG P37231 4/20 0.42
RARG P13631 3/20 0.42
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
FABP3 P05413 2/20 0.38
FABP4 P15090 2/20 0.38
FABP5 Q01469 1/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
RARA P10276 2/20 0.37
POLB P06746 1/20 0.35
RARB P10826 1/20 0.34
HMGCR P04035 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
SCHEMBL4852964 0.89 RXRA (0.46) RXRAPPARGRARGGABRA1GABRB2
SCHEMBL4852194 0.87 RXRA (0.46) RXRAPPARGRARGGABRA1GABRB2
SCHEMBL4862635 0.85 GABRA1 (0.36) RXRAPPARGRARGGABRA1GABRB2
SCHEMBL4860363 0.84 RXRA (0.46) RXRAPPARGRARGGABRA1GABRB2
SCHEMBL31063473 0.83 PTGS2 (0.35) RXRAPPARGRARGGABRA1GABRB2
SCHEMBL10212529 0.83 RXRA (0.46) RXRAPPARGRARGGABRA1GABRB2
SCHEMBL4861540 0.83 RXRA (0.47) RXRAPPARGRARGGABRA1GABRB2
SCHEMBL4862597 0.83 RARB (0.43) RXRAPPARGRARGGABRA1GABRB2
SCHEMBL4858958 0.82 GABRA1 (0.41) RXRAPPARGRARGGABRA1GABRB2
SCHEMBL10269004 0.77 RXRA (0.42) RXRAPPARGRARGGABRA1GABRB2

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 14 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
US-20040049072-A1 RXR modulators with improved pharmacologic profile LIGAND PHARMACEUTICALS INC 2004-03-11 US disclosed
EP-1373240-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-01-02 EP disclosed
US-6593493-B1 2-(Carboxy(unsaturated)alkyl)-1-(haloalkoxy)benzene derivatives; retinoid X receptors; cardiovascular, skin, eating and vision disorders; anticarcinogenic agents; non-insulin-dependent diabetes LIGAND PHARMACEUTICALS, INC. 2003-07-15 US disclosed
WO-2002071827-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2002-09-19 WO disclosed
EP-1216221-A2 RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-26 EP disclosed
WO-2001019770-A2 RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-22 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 18/4885RARG 5/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB RXRA 1/4885PPARG 19/4885RARG 5/4885
US-20040049072-A1 RXR modulators with improved pharmacologic profile RXRB, RXRG, RXRA RXRA 3/4885PPARG 6/4885RARG 20/4885

“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.