SCHEMBL4441503

SCHEMBL4441503

O=C(O)Cc1cccc(Oc2cccc(-c3ccc(C(F)(F)F)cc3Cl)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.57
THRA P10827 7/20 0.57
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
RXRA P19793 2/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
SHMT1 P34896 1/20 0.44
SHMT2 P34897 1/20 0.44
FFAR1 O14842 1/20 0.44
PPARD Q03181 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44

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
SCHEMBL4439771 0.90 THRB (0.54) THRBTHRARXRARXRBRXRG
SCHEMBL4430177 0.88 THRB (0.50) THRBTHRAPSEN1PSEN2APH1B
SCHEMBL4431706 0.85 THRA (0.49) THRBTHRASHMT1SHMT2FFAR1
SCHEMBL4430151 0.85 SHMT1 (0.60) THRBTHRASHMT1SHMT2FFAR1
SCHEMBL4432456 0.85 THRA (0.55) THRBTHRAPSEN1PSEN2APH1B
SCHEMBL10507700 0.84 FFAR1 (0.62) THRBTHRASMN1; SMN2FFAR1PPARD
SCHEMBL5057604 0.83 PSEN1 (0.54) THRBTHRAPSEN1PSEN2APH1B
SCHEMBL4431713 0.81 PSEN1 (0.50) THRBTHRAPSEN1PSEN2APH1B
SCHEMBL4434998 0.80 FFAR1 (0.57) THRBTHRARXRARXRBSHMT1
SCHEMBL4905224 0.79 THRA (0.51) THRBTHRAFFAR1PTGDR2

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.