SCHEMBL4031359

SCHEMBL4031359

Cc1oc(-c2ccccc2)nc1COc1cc(COc2cccc(CC(=O)O)c2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.64
PPARG P37231 16/20 0.56
PPARA Q07869 16/20 0.56
FFAR1 O14842 1/20 0.55
CYP2C9 P11712 4/20 0.53
KCNH2 Q12809 4/20 0.53
KDM4E B2RXH2 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
SCHEMBL4031039 0.92 KDR (0.74) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL4036830 0.92 KDR (0.61) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL14514345 0.91 KDR (0.78) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL4030470 0.88 KDR (0.70) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL4029683 0.88 KDR (0.70) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL4031873 0.86 KDR (0.66) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL4031813 0.85 KDR (0.64) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL4029476 0.85 KDR (0.67) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL4035144 0.85 KDR (0.67) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL4031209 0.84 KDR (0.62) KDRPPARGPPARAFFAR1CYP2C9

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.