SCHEMBL5057604

SCHEMBL5057604

O=C(O)Cc1cccc(Oc2cccc(-c3ccc(C(F)(F)F)cc3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.54
PSEN2 P49810 1/20 0.54
APH1B Q8WW43 1/20 0.54
NCSTN Q92542 1/20 0.54
APH1A Q96BI3 1/20 0.54
PSENEN Q9NZ42 1/20 0.54
RXRA P19793 7/20 0.53
NR1H2 P55055 1/20 0.53
NR1H3 Q13133 1/20 0.53
RXRB P28702 6/20 0.52
RXRG P48443 6/20 0.52
FFAR1 O14842 4/20 0.51
MGLL Q99685 1/20 0.50
THRB P10828 2/20 0.49
AGXT P21549 1/20 0.49
PPARD Q03181 2/20 0.48
PPARA Q07869 1/20 0.48
FFAR4 Q5NUL3 1/20 0.47
THRA P10827 1/20 0.47

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
SCHEMBL4432456 0.91 THRA (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5057534 0.88 RXRA (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6267349 0.88 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5128706 0.86 RXRA (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4429928 0.86 THRA (0.55) RXRANR1H2NR1H3FFAR1THRB
SCHEMBL4441221 0.85 MRGPRX4 (0.56) FFAR1MGLLTHRBAGXTFFAR4
SCHEMBL5131833 0.85 RXRA (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4430177 0.84 THRB (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4437946 0.84 THRA (0.58) FFAR1THRBFFAR4THRA
SCHEMBL4432415 0.84 RXRA (0.50) RXRANR1H2NR1H3RXRBRXRG

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
US-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 US disclosed
US-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 US disclosed
US-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 US disclosed
EP-1940767-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-07-09 EP disclosed
WO-2007030567-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-03-15 WO disclosed
WO-2007030567-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-03-15 WO 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-20080249137-A1 PPAR active compounds PPARG, PPARA, PPARD PSEN1 2286/4885PSEN2 2316/4885APH1B 1007/4885

“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.