Sugi Predict

Sugi Predict / Compounds / SCHEMBL3876164

SCHEMBL3876164

SCHEMBL3876164

CCOC(=O)Cn1ccc2cccc(OCCCC#Cc3ccc(OC(F)(F)F)cc3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ NR5A1 Q13285 1/20 0.37
▸ HRH1 P35367 2/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TNF P01375 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ MCL1 Q07820 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
SCHEMBL3870854 0.89 PPARA (0.40) PPARGPPARDPPARATRPV1MCL1
SCHEMBL3872910 0.86 PPARG (0.45) POLBNR5A1HRH1HRH2MAPT
SCHEMBL3883848 0.83 MCL1 (0.47) POLBHRH1HRH2LMNAPPARG
SCHEMBL3873618 0.83 PPARG (0.44) POLBHRH1HRH2LMNAPPARG
SCHEMBL3873464 0.78 MCL1 (0.44) HRH1HRH2MAPTPPARGPPARD
SCHEMBL3876141 0.76 TRPV1 (0.46) POLBNR5A1MAPTLMNAACACB
SCHEMBL5177264 0.76 PKM (0.41) POLBHRH1HRH2MAPTLMNA
SCHEMBL3882987 0.74 PPARG (0.58) MAPTPPARGPPARDPPARAMCL1
SCHEMBL3884705 0.74 MCL1 (0.47) PPARGPPARDPPARAMCL1
SCHEMBL5177046 0.74 PKM (0.41) POLBNR5A1HRH1HRH2MAPT

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 POLB 2121/4885NR5A1 217/4885HRH1 1494/4885

“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.