SCHEMBL4029301

SCHEMBL4029301

COc1cc(COc2ncccc2C#N)ccc1OCc1nc(-c2ccco2)oc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.53
HSD17B10 Q99714 8/20 0.46
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 7/20 0.46
MAPT P10636 7/20 0.46
TSHR P16473 5/20 0.46
HPGD P15428 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 6/20 0.38
ALOX15 P16050 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 2/20 0.36
ANO1 Q5XXA6 1/20 0.35
TP53 P04637 3/20 0.35
MAPK1 P28482 3/20 0.35

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
SCHEMBL4029510 0.87 LMNA (0.46) PPARGHSD17B10KDM4EALDH1A1MAPT
SCHEMBL4034756 0.86 KDM4E (0.43) PPARGHSD17B10KDM4EALDH1A1MAPT
SCHEMBL4030069 0.85 PPARG (0.55) PPARGHSD17B10KDM4EALDH1A1MAPT
SCHEMBL4852511 0.84 PPARG (0.49) PPARGHSD17B10KDM4EALDH1A1MAPT
SCHEMBL6583254 0.81 PPARG (0.66) PPARGHSD17B10KDM4EALDH1A1MAPT
SCHEMBL4854412 0.81 PPARG (0.51) PPARGHSD17B10KDM4EALDH1A1MAPT
SCHEMBL4854473 0.81 PPARG (0.51) PPARGHSD17B10KDM4EALDH1A1MAPT
SCHEMBL4035637 0.80 PPARG (0.62) PPARGHSD17B10KDM4EALDH1A1MAPT
SCHEMBL1732725 0.80 PPARG (0.62) PPARGHSD17B10KDM4EALDH1A1MAPT
SCHEMBL6582034 0.80 PPARG (0.65) PPARGHSD17B10KDM4EALDH1A1MAPT

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
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK PPARG 593/4885HSD17B10 128/4885KDM4E 570/4885

“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.