SCHEMBL4031041

SCHEMBL4031041

Cc1oc(-c2ccccc2)nc1COc1cccc(COc2ccccc2CC(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.67
PPARG P37231 14/20 0.58
PPARA Q07869 14/20 0.58
FFAR1 O14842 1/20 0.56
CYP2C9 P11712 3/20 0.54
KCNH2 Q12809 3/20 0.54
CFD P00746 1/20 0.53
PLG P00747 1/20 0.53
PLAU P00749 1/20 0.53
F11 P03951 1/20 0.53
KLKB1 P03952 1/20 0.53
F7 P08709 1/20 0.53
TPSB2 P20231 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.51

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
SCHEMBL4038098 0.93 KDR (0.67) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL4031684 0.92 KDR (0.63) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL4031039 0.90 KDR (0.74) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL4034630 0.89 FFAR1 (0.68) KDRPPARGPPARAFFAR1KDM4E
SCHEMBL4033666 0.89 FFAR1 (0.55) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL14514345 0.88 KDR (0.78) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL4029683 0.87 KDR (0.70) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL5201483 0.87 KDM4E (0.63) KDRPPARGPPARAFFAR1KDM4E
SCHEMBL4031396 0.87 FFAR1 (0.64) KDRPPARGPPARAFFAR1KDM4E
SCHEMBL4028856 0.86 FFAR1 (0.53) KDRPPARGPPARAFFAR1CFD

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 KDR 1328/4885PPARG 593/4885PPARA 156/4885

“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.