SCHEMBL6488604

SCHEMBL6488604

CC(=CC(=O)O)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.71
NR4A2 P43354 1/20 0.71
NR4A3 Q92570 1/20 0.71
RXRA P19793 12/20 0.64
RXRB P28702 11/20 0.64
RXRG P48443 10/20 0.64
S1PR1 P21453 1/20 0.41
CES2 O00748 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KIF11 P52732 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL4021642 0.84 NR4A1 (1.00) NR4A1NR4A2NR4A3CES2PTGS1
SCHEMBL4021645 0.84 NR4A1 (1.00) NR4A1NR4A2NR4A3CES2PTGS1
SCHEMBL4021643 0.84 NR4A1 (1.00) NR4A1NR4A2NR4A3CES2PTGS1
SCHEMBL15744633 0.80 RXRA (0.71) RXRARXRBRXRGCES2KIF11
SCHEMBL1842528 0.80 NR4A1 (0.54) NR4A1NR4A2NR4A3RXRARXRB
SCHEMBL23698041 0.79 RXRA (1.00) RXRARXRBRXRG
SCHEMBL6485747 0.78 NR4A1 (0.65) NR4A1NR4A2NR4A3RXRARXRB
SCHEMBL6485751 0.78 NR4A1 (0.65) NR4A1NR4A2NR4A3RXRARXRB
SCHEMBL1842885 0.77 NR4A1 (0.59) NR4A1NR4A2NR4A3CES2PTGS1
SCHEMBL6497479 0.77 NR4A1 (0.59) NR4A1NR4A2NR4A3CES2PTGS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867218-B2 Compounds, their preparation and use NOVO NORDISK A/S (DK) 2005-03-15 US disclosed
US-20030195200-A1 Compounds, their preparation and use VTVX HOLDINGS II LLC 2003-10-16 US disclosed
US-6555577-B1 For treatment and/or prevention of conditions mediated by the Peroxisome Proliferator-Activated Receptors (PPAR), such as diabetes and/or obesity; 3-(4-(3-Biphenyl-4-yl-but-2-enyloxy)-phenyl)-2-butoxy-propionic acid for example NOVO NORDISK A/S (DE) 2003-04-29 US disclosed
EP-1254101-A1 PROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY Novo Nordisk A/S (DK) 2002-11-06 EP disclosed
WO-2001055085-A1 PROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY NOVO NORDISK A/S (DK) 2001-08-02 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 (1 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-20030195200-A1 Compounds, their preparation and use PPARG, PPARA, PPARD NR4A1 76/4885NR4A2 149/4885NR4A3 159/4885

“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.