SCHEMBL5475595

SCHEMBL5475595

CCOC(=O)C=CC#Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
HCAR2 Q8TDS4 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 3/20 0.46
MDM2 Q00987 2/20 0.46
MDM4 O15151 1/20 0.46
GAA P10253 1/20 0.46
PPARD Q03181 3/20 0.45
PPARA Q07869 3/20 0.45
PPARG P37231 1/20 0.45
ALDH1A1 P00352 2/20 0.45
THRB P10828 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MEN1 O00255 1/20 0.42

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
SCHEMBL5486359 1.00 MAPT (0.48) MAPTHCAR2NPC1RAB9ALMNA
SCHEMBL5475589 1.00 MAPT (0.48) MAPTHCAR2NPC1RAB9ALMNA
SCHEMBL13937614 0.92 CA12 (0.47) MAPTHCAR2NPC1RAB9ALMNA
SCHEMBL3889290 0.92 CA12 (0.47) MAPTHCAR2NPC1RAB9ALMNA
SCHEMBL3889286 0.92 CA12 (0.47) MAPTHCAR2NPC1RAB9ALMNA
SCHEMBL5020587 0.87 MAPT (0.47) MAPTHCAR2NPC1RAB9ALMNA
SCHEMBL3886223 0.87 MAPT (0.49) MAPTHCAR2NPC1RAB9ALMNA
SCHEMBL13937609 0.87 MAPT (0.49) MAPTHCAR2NPC1RAB9ALMNA
SCHEMBL3886225 0.87 MAPT (0.49) MAPTHCAR2NPC1RAB9ALMNA
SCHEMBL28593056 0.85 GRM5 (0.56) MAPTPPARDPPARAPPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108623425-B Method for constructing four-membered ring by visible light catalysis [2+2] reaction 中国科学院理化技术研究所 2021-05-14 CN disclosed
US-7202213-B2 Combination therapy using a dual PPAR-α/PPAR-γ activator and a GLP-1 derivative for the treatment of metabolic syndrome and related diseases and disorders NOVO NORDISK A/S (DK) 2007-04-10 US disclosed
US-20030199451-A1 Combination therapy using a dual PPAR-a/PPAR-y activator and a GLP-1 derivative for the treatment of metabolic syndrome and related diseases and disorders HIGH POINT PHARMACEUTICALS, LLC 2003-10-23 US disclosed
US-6569901-B2 (E)-(S)-2-Ethoxy-3-(4-(5-phenyl-pent-2-en-4-ynyloxy)-phenyl)-propionic acid, ethyl ester for example; treating conditions mediated by Peroxisome Proliferator-Activated Receptors (PPAR); diabetes, obesity NOVO NORDISK A/S (DK) 2003-05-27 US disclosed
EP-1254102-A1 ALKYNYLSUBSTITUTED PROPIONIC ACID DERIVATIVES AND THEIR USE AGAINST DIABETES AND OBESITY Novo Nordisk A/S (DK) 2002-11-06 EP disclosed
US-20010041709-A1 New compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2001-11-15 US disclosed
WO-2001055086-A1 ALKYNYLSUBSTITUTED PROPIONIC ACID DERIVATIVES AND THEIR USE AGAINST DIABETES AND OBESITY NOVO NORDISK A/S (DK) 2001-08-02 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 (2 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-20010041709-A1 New compounds, their preparation and use PPARG, PPARD, PPARA MAPT 4345/4885HCAR2 252/4885NPC1 281/4885
US-20030199451-A1 Combination therapy using a dual PPAR-a/PPAR-y activator and a GLP-1 derivative for the treatment of metabolic syndrome and related diseases and disorders GLP1R, PPARG, PPARA MAPT 3652/4885HCAR2 264/4885NPC1 1449/4885

“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.