SCHEMBL4430177

SCHEMBL4430177

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.50
THRA P10827 3/20 0.50
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
FAAH O00519 1/20 0.48
PTGS2 P35354 1/20 0.48
RXRA P19793 3/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 2/20 0.48
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
MAPK14 Q16539 1/20 0.44
PPARG P37231 1/20 0.43

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
SCHEMBL4441534 0.90 AKR1C3 (0.51) THRBTHRAPSEN1PSEN2APH1B
SCHEMBL4441503 0.88 THRB (0.57) THRBTHRAPSEN1PSEN2APH1B
SCHEMBL4427574 0.86 PTGS2 (0.52) THRBTHRAFAAHPTGS2AKR1C3
SCHEMBL4432456 0.86 THRA (0.55) THRBTHRAPSEN1PSEN2APH1B
SCHEMBL5057604 0.84 PSEN1 (0.54) THRBTHRAPSEN1PSEN2APH1B
SCHEMBL4434442 0.84 PTGS2 (0.50) THRBTHRAFAAHPTGS2AKR1C3
SCHEMBL4435039 0.83 FFAR1 (0.53) THRBTHRAFAAHPTGS2PTGDR2
SCHEMBL4433434 0.83 AKR1C3 (0.57) THRBTHRAFAAHPTGS2AKR1C3
SCHEMBL4434080 0.81 PSEN1 (0.51) THRBTHRAPSEN1PSEN2APH1B
SCHEMBL4433168 0.81 FFAR1 (0.52) FAAHPTGS2NR1H2NR1H3PPARD

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-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
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 THRB 130/4885THRA 126/4885PSEN1 3062/4885

“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.