SCHEMBL3877946

SCHEMBL3877946

O=C(CCC#Cc1cccc(OC(F)(F)F)c1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.55
MRGPRX4 Q96LA9 2/20 0.42
MAPK14 Q16539 1/20 0.41
CETP P11597 2/20 0.40
KAT6A Q92794 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HAO1 Q9UJM8 1/20 0.39
ALOX5 P09917 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL25456701 0.84 FFAR1 (0.39) FFAR1CETPALDH1A1MAPK1L3MBTL1
SCHEMBL3874608 0.83 FFAR1 (0.67) FFAR1MRGPRX4KAT6AHAO1ALOX5
SCHEMBL25172823 0.82 HCAR2 (0.48) FFAR1ALDH1A1MAPK1L3MBTL1FFAR4
SCHEMBL25173135 0.81 ACACB (0.41) FFAR1ALDH1A1MAPK1L3MBTL1HAO1
SCHEMBL25170006 0.79 HAO1 (0.37) FFAR1ALDH1A1MAPK1L3MBTL1HAO1
SCHEMBL25175788 0.79 PLA2G4B (0.47) FFAR1
SCHEMBL25172940 0.78 FFAR1 (0.49) FFAR1FFAR4
SCHEMBL3874916 0.78 FFAR1 (0.45) FFAR1MRGPRX4ALDH1A1MAPK1L3MBTL1
SCHEMBL2232937 0.77 FFAR1 (0.56) FFAR1MRGPRX4MAPK14CETP
SCHEMBL25173314 0.77 FFAR1 (0.48) FFAR1ALDH1A1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781608-B1 INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2009-10-21 EP disclosed
US-7405236-B2 Indole derivatives comprising an acetylene group HOFFMAN-LA ROCHE INC. (US) 2008-07-29 US disclosed
US-20060035956-A1 e.g. {6-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-indol-1-yl}-acetic acid; peroxisome proliferator activated receptor PPAR delta or PPAR alpha agonist; antidiabetic, antiinflammatory agent, cardiovascular disorders; non-insulin dependent diabetes, insulin resistance, atherosclerosis HOFFMANN-LA ROCHE INC. 2006-02-16 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-20060035956-A1 e.g. {6-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-indol-1-yl}-acetic acid; peroxisome proliferator activated receptor PPAR delta or PPAR alpha agonist; antidiabetic, antiinflammatory agent, cardiovascular disorders; non-insulin dependent diabetes, insulin resistance, atherosclerosis PPARD, PPARG, PPARA FFAR1 5/4885MRGPRX4 1562/4885MAPK14 2277/4885

“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.