SCHEMBL4428889

SCHEMBL4428889

COc1cc(CC(=O)O)cc(Oc2cccc(-c3cccc(Cl)c3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.54
THRB P10828 7/20 0.54
FFAR1 O14842 3/20 0.50
FFAR4 Q5NUL3 1/20 0.50
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
GRK6 P43250 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP4B1 P13584 1/20 0.42

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
SCHEMBL4440031 0.92 FFAR1 (0.55) THRATHRBFFAR1FFAR4LMNA
SCHEMBL4435032 0.88 FFAR1 (0.61) THRATHRBFFAR1FFAR4PTGDR2
SCHEMBL4430163 0.88 THRA (0.58) THRATHRBFFAR1FFAR4PTGDR2
SCHEMBL4430444 0.88 THRA (0.53) THRATHRBFFAR1FFAR4MEN1
SCHEMBL4428881 0.88 THRA (0.58) THRATHRBFFAR1FFAR4LMNA
SCHEMBL4440017 0.87 PTGDR2 (0.52) THRATHRBFFAR1FFAR4PDE4B
SCHEMBL4430817 0.87 THRA (0.54) THRATHRBFFAR1FFAR4PTGDR2
SCHEMBL4434117 0.87 THRA (0.54) THRATHRBFFAR1FFAR4PTGDR2
SCHEMBL4430475 0.86 FFAR1 (0.51) THRATHRBFFAR1FFAR4LMNA
SCHEMBL4437915 0.86 THRA (0.53) THRATHRBFFAR1FFAR4PTGDR2

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 THRA 126/4885THRB 130/4885FFAR1 30/4885

“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.