SCHEMBL4033223

SCHEMBL4033223

COCOCc1coc(-c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
DRD2 P14416 3/20 0.46
DRD4 P21917 3/20 0.46
DRD3 P35462 3/20 0.46
PPARA Q07869 4/20 0.45
PPARG P37231 3/20 0.45
ENPP3 O14638 2/20 0.44
ENPP1 P22413 2/20 0.44
KLK1 P06870 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL1931090 0.85 NPC1 (0.43) PPARAPPARGALDH1A1LMNAHDAC1
SCHEMBL4848917 0.77 FFAR1 (0.48) FFAR1DRD2DRD4DRD3PPARA
SCHEMBL12432902 0.75 DRD2 (0.54) FFAR1DRD2DRD4DRD3PPARA
SCHEMBL16156078 0.75 FFAR1 (0.46) FFAR1DRD2DRD4DRD3PPARA
SCHEMBL1451310 0.72 FFAR1 (0.59) FFAR1PPARAPPARGENPP3ENPP1
SCHEMBL27323764 0.72 FFAR1 (0.50) FFAR1DRD2DRD4DRD3PPARA
SCHEMBL12944914 0.72 FFAR1 (0.44) FFAR1DRD2DRD4DRD3PPARA
SCHEMBL10202828 0.72 FFAR1 (0.44) FFAR1DRD2DRD4DRD3PPARA
SCHEMBL12844627 0.72 DRD2 (0.51) FFAR1DRD2DRD4DRD3ENPP3
SCHEMBL12445017 0.72 LMNA (0.49) PPARAALDH1A1LMNAHDAC1HDAC8

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 FFAR1 4/4885DRD2 2466/4885DRD4 2790/4885

“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.