SCHEMBL4433434

SCHEMBL4433434

COc1ccc(-c2cccc(Oc3cccc(CC(=O)O)c3)c2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.57
AKR1C2 P52895 4/20 0.57
THRA P10827 1/20 0.55
THRB P10828 1/20 0.55
FAAH O00519 1/20 0.52
PTGS2 P35354 1/20 0.52
FFAR1 O14842 7/20 0.51
PPARD Q03181 2/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.49
FFAR4 Q5NUL3 1/20 0.48
PTGS1 P23219 1/20 0.48
CTSA P10619 1/20 0.48
CTBP2 P56545 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
SRD5A2 P31213 1/20 0.45

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
SCHEMBL4429909 0.93 THRA (0.56) AKR1C3AKR1C2THRATHRBFAAH
SCHEMBL4427574 0.87 PTGS2 (0.52) AKR1C3AKR1C2THRATHRBFAAH
SCHEMBL4430808 0.87 FFAR1 (0.56) AKR1C3AKR1C2THRATHRBFFAR1
SCHEMBL4433168 0.86 FFAR1 (0.52) FAAHPTGS2FFAR1PPARDFFAR4
SCHEMBL4439766 0.85 AKR1C3 (0.52) AKR1C3AKR1C2THRATHRBFAAH
SCHEMBL4434442 0.85 PTGS2 (0.50) AKR1C3AKR1C2THRATHRBFAAH
SCHEMBL4435039 0.84 FFAR1 (0.53) THRATHRBFAAHPTGS2FFAR1
SCHEMBL4437915 0.84 THRA (0.53) AKR1C3AKR1C2THRATHRBFAAH
SCHEMBL4430126 0.83 FFAR1 (0.50) AKR1C3AKR1C2THRATHRBFAAH
SCHEMBL4430177 0.83 THRB (0.50) AKR1C3AKR1C2THRATHRBFAAH

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 AKR1C3 1875/4885AKR1C2 1107/4885THRA 126/4885

“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.