SCHEMBL4574817

SCHEMBL4574817

C=CCc1cc(CCN(Cc2ccc(OC(F)(F)F)cc2)c2ncc(CC)cn2)ccc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
GABRA1 P14867 5/20 0.36
GABRB2 P47870 5/20 0.36
RXRA P19793 2/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
TRPM8 Q7Z2W7 3/20 0.33
CETP P11597 2/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX5 P09917 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL4575546 0.89 NR1H2 (0.40) POLBGAAMAPTNR1H2NR1H3
SCHEMBL4575939 0.86 NR1H2 (0.37) POLBGAAMAPTNR1H2NR1H3
SCHEMBL4575994 0.85 CETP (0.36) MAPTNR1H2NR1H3RXRAGRIN1
Phenol SCHEMBL4574712 0.84 BCHE (0.39) NR1H2NR1H3RXRAGRIN1GRIN2B
SCHEMBL4576170 0.84 CETP (0.35) MAPTNR1H2NR1H3RXRAGRIN1
SCHEMBL4575451 0.84 PRMT6 (0.36) MAPTNR1H2NR1H3RXRAGRIN1
SCHEMBL4575425 0.84 NR1H2 (0.40) MAPTNR1H2NR1H3RXRAGRIN1
SCHEMBL4575060 0.81 BCHE (0.43) MAPTNR1H2NR1H3RXRAGRIN1
SCHEMBL4575506 0.80 TRPM8 (0.35) MAPTNR1H2NR1H3RXRAGRIN1
SCHEMBL4574993 0.79 CETP (0.35) MAPTNR1H2NR1H3RXRAGRIN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD POLB 1227/4885GAA 427/4885MAPT 3860/4885

“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.