SCHEMBL6485751

SCHEMBL6485751

CC(=CC(=O)O)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.65
NR4A2 P43354 1/20 0.65
NR4A3 Q92570 1/20 0.65
RXRA P19793 4/20 0.49
RXRB P28702 4/20 0.49
RXRG P48443 2/20 0.49
SRD5A2 P31213 1/20 0.49
HDAC1 Q13547 1/20 0.46
NQO2 P16083 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
RARB P10826 2/20 0.45
RARG P13631 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
KIF11 P52732 1/20 0.44

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
SCHEMBL6485747 1.00 NR4A1 (0.65) NR4A1NR4A2NR4A3RXRARXRB
SCHEMBL2004119 0.95 NR4A1 (0.71) NR4A1NR4A2NR4A3RXRARXRB
SCHEMBL2004117 0.95 NR4A1 (0.71) NR4A1NR4A2NR4A3RXRARXRB
SCHEMBL4000593 0.95 NR4A1 (0.71) NR4A1NR4A2NR4A3RXRARXRB
SCHEMBL28961065 0.93 NR4A1 (0.69) NR4A1NR4A2NR4A3RXRARXRB
SCHEMBL11243242 0.82 SMN1; SMN2 (0.61) NR4A1NR4A2NR4A3RXRARXRB
SCHEMBL11494004 0.82 NR4A1 (0.53) NR4A1NR4A2NR4A3SRD5A2HDAC1
SCHEMBL11243246 0.82 SMN1; SMN2 (0.61) NR4A1NR4A2NR4A3RXRARXRB
SCHEMBL14366857 0.82 NR4A1 (0.53) NR4A1NR4A2NR4A3SRD5A2HDAC1
Hydrochloric Acid SCHEMBL11241463 0.80 SMN1; SMN2 (0.59) NR4A1NR4A2NR4A3RXRARXRB

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 3 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

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.