SCHEMBL4616565

SCHEMBL4616565

CCc1cc(Oc2cccc(C#N)c2)ccc1CCC(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.40
PGR P06401 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
HTR2A P28223 1/20 0.37
KCNH2 Q12809 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4616535 0.88 PPARG (0.42) FFAR1FFAR4PDE4APDE4BPDE4C
SCHEMBL4615082 0.80 MTNR1A (0.43) FFAR1FFAR4MTNR1AMTNR1B
SCHEMBL20232424 0.77 POLB (0.53) MTNR1AMTNR1B
SCHEMBL4616974 0.76 KMT2A (0.36) FFAR1FFAR4KCNH2RAB9A
SCHEMBL15186257 0.76 PPARG (0.44) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL18402878 0.76 PGR (0.44) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL926321 0.75 SMN1; SMN2 (0.47) SMN1; SMN2
SCHEMBL3926844 0.74 FFAR1 (0.54) FFAR1FFAR4SMN1; SMN2RAB9A
SCHEMBL4616440 0.74 PPARG (0.38) FFAR1FFAR4RAB9A
SCHEMBL4614915 0.74 CYP3A4 (0.41) HTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 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-20070082907-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD MCHR1 3216/4885PGR 919/4885FFAR1 11/4885

“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.