SCHEMBL4433168

SCHEMBL4433168

O=C(O)Cc1cccc(Oc2cccc(-c3ccc(OCc4ccccc4)cc3F)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.52
FFAR4 Q5NUL3 2/20 0.52
PPARD Q03181 3/20 0.52
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
FAAH O00519 1/20 0.48
PTGS2 P35354 1/20 0.48
CFD P00746 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46

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
SCHEMBL4430808 0.91 FFAR1 (0.56) FFAR1PPARD
SCHEMBL4433434 0.86 AKR1C3 (0.57) FFAR1FFAR4PPARDFAAHPTGS2
SCHEMBL4427574 0.85 PTGS2 (0.52) FFAR1FFAR4FAAHPTGS2
SCHEMBL4435039 0.85 FFAR1 (0.53) FFAR1FFAR4FAAHPTGS2CFD
SCHEMBL4434928 0.84 FFAR1 (0.54) FFAR1FFAR4PPARD
SCHEMBL3511533 0.83 FFAR1 (0.59) FFAR1FFAR4
SCHEMBL4434442 0.83 PTGS2 (0.50) FFAR1FAAHPTGS2
SCHEMBL4430177 0.81 THRB (0.50) FFAR1PPARDNR1H2NR1H3FAAH
SCHEMBL3908596 0.80 CFD (0.66) FFAR1FFAR4CFDMRGPRX4
SCHEMBL954459 0.80 NR4A2 (0.66) FFAR1

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
EP-2121591-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2009-11-25 EP disclosed
WO-2008109697-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 WO disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 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-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PPARA, PPARG, PPARD FFAR1 30/4885FFAR4 42/4885PPARD 3/4885

“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.