SCHEMBL6754496

SCHEMBL6754496

CCCOC(Cc1ccc(OCCn2c3ncccc3c3cccnc32)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.62
PPARG P37231 16/20 0.62
PPARD Q03181 3/20 0.62
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
TBXA2R P21731 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
PDE4A P27815 1/20 0.47
ADRA1A P35348 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL6754579 0.95 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL6752330 0.93 PPARA (0.72) PPARAPPARGPPARDPGRADORA3
SCHEMBL6752358 0.91 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL6752687 0.89 PPARA (0.48) PPARAPPARGPPARDPDE4A
SCHEMBL6748817 0.89 PPARG (0.57) PPARAPPARGPPARD
SCHEMBL6748830 0.88 PPARG (0.59) PPARAPPARGPPARD
SCHEMBL6752674 0.88 PPARA (0.65) PPARAPPARGPPARD
SCHEMBL6750870 0.86 PPARA (0.65) PPARAPPARGPPARDPGRADORA3
SCHEMBL7530870 0.84 PPARG (0.86) PPARAPPARGPPARDPGRADORA3
SCHEMBL7855068 0.84 PPARG (0.86) PPARAPPARGPPARDPGRADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6703401-B2 USEFUL IN THE TREATMENT AND/OR PREVENTION OF CONDITIONS MEDIATED BY CLEAR RECEPTORS, IN PARTICULAR THE PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS (PPAR). NOVO NORDISK A/S (DK) 2004-03-09 US claimed
US-20020065268-A1 New compounds, their preparation and use JEPPESEN LONE (DK) 2002-05-30 US claimed
US-20020065267-A1 Compounds, their preparation and use JEPPESEN LONE (DK) 2002-05-30 US claimed
US-20020061880-A1 New compounds, their preparation and use JEPPESEN LONE (DK) 2002-05-23 US claimed
US-20020061876-A1 Compounds, their preparation and use JEPPESEN LONE (DK) 2002-05-23 US claimed
US-20020055502-A1 New compounds, their preparation and use JEPPESEN LONE (DK) 2002-05-09 US claimed
US-6703401-B2 USEFUL IN THE TREATMENT AND/OR PREVENTION OF CONDITIONS MEDIATED BY CLEAR RECEPTORS, IN PARTICULAR THE PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS (PPAR). NOVO NORDISK A/S (DK) 2004-03-09 US disclosed
US-20020065268-A1 New compounds, their preparation and use JEPPESEN LONE (DK) 2002-05-30 US disclosed
US-20020065267-A1 Compounds, their preparation and use JEPPESEN LONE (DK) 2002-05-30 US disclosed
US-20020061880-A1 New compounds, their preparation and use JEPPESEN LONE (DK) 2002-05-23 US disclosed
US-20020061876-A1 Compounds, their preparation and use JEPPESEN LONE (DK) 2002-05-23 US disclosed
US-20020055502-A1 New compounds, their preparation and use JEPPESEN LONE (DK) 2002-05-09 US disclosed
US-6365586-B1 REDUCE BLOOD GLUCOSE AND TRIGLYCERIDE LEVELS AND ARE USEFUL FOR THERAPY OF AILMENTS AND DISORDERS SUCH AS DIABETES AND OBESITY NOVO NORDISK A/S (DK) 2002-04-02 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 (5 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-20020061880-A1 New compounds, their preparation and use PPARG, PPARD, PPARA PPARA 3/4885PPARG 1/4885PPARD 2/4885
US-20020065267-A1 Compounds, their preparation and use PPARG, PPARA, PPARD PPARA 2/4885PPARG 1/4885PPARD 3/4885
US-20020061876-A1 Compounds, their preparation and use PPARG, PPARA, PPARD PPARA 2/4885PPARG 1/4885PPARD 3/4885
US-20020055502-A1 New compounds, their preparation and use PPARG, PPARD, PPARA PPARA 3/4885PPARG 1/4885PPARD 2/4885
US-20020065268-A1 New compounds, their preparation and use PPARG, PPARD, PPARA PPARA 3/4885PPARG 1/4885PPARD 2/4885

“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.