SCHEMBL4030907

SCHEMBL4030907

CCCc1oc(-c2ccccc2)nc1COCOC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.42
PPARG P37231 8/20 0.42
PPARD Q03181 3/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
FFAR1 O14842 1/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
KDR P35968 1/20 0.36
DGAT1 O75907 1/20 0.35
TARBP2 Q15633 1/20 0.34

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
SCHEMBL4847998 0.85 KDM4E (0.48) PPARAPPARGPPARDALDH1A1TSHR
SCHEMBL4845281 0.85 FFAR1 (0.43) PPARAPPARGPPARDALDH1A1TSHR
SCHEMBL4034186 0.80 PPARA (0.47) PPARAPPARGPPARDALDH1A1TSHR
SCHEMBL6583439 0.80 MAPT (0.54) PPARAPPARGPPARDFFAR1RAB9A
SCHEMBL4847939 0.79 FFAR1 (0.63) PPARAPPARGPPARDFFAR1MAPT
SCHEMBL5111340 0.78 PPARA (0.47) PPARAPPARGPPARDALDH1A1TSHR
SCHEMBL4032747 0.77 PPARG (0.44) PPARAPPARGPPARDALDH1A1TSHR
SCHEMBL4852058 0.77 FFAR1 (0.59) PPARAPPARGFFAR1MAPTKDR
SCHEMBL4848609 0.77 TSHR (0.39) PPARAPPARGPPARDALDH1A1TSHR
SCHEMBL4029798 0.76 KDM4E (0.41) PPARAPPARGPPARDALDH1A1TSHR

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 PPARA 156/4885PPARG 593/4885PPARD 754/4885

“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.