SCHEMBL5107906

SCHEMBL5107906

CC(C)Oc1cc(C=CC(=O)O)n(Cc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.47
AKR1C3 P42330 1/20 0.43
GAA P10253 1/20 0.41
APP P05067 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
GMNN O75496 1/20 0.39
DRD2 P14416 1/20 0.39
HPGD P15428 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
PMP22 Q01453 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE5A O76074 1/20 0.39
PKM P14618 1/20 0.38
GRN P28799 1/20 0.38

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
SCHEMBL5107902 1.00 PPARG (0.47) PPARGAKR1C3GAAAPPMAPT
SCHEMBL5118980 0.84 POLB (0.41) PPARGAPPMAPTKMT2AMEN1
SCHEMBL5113557 0.83 PKM (0.48) AKR1C3GAAAPPMAPTALDH1A1
SCHEMBL5113563 0.83 PKM (0.48) AKR1C3GAAAPPMAPTALDH1A1
SCHEMBL3215481 0.82 PPARG (0.67) PPARGSMN1; SMN2
SCHEMBL3215461 0.82 PPARG (0.67) PPARGSMN1; SMN2
SCHEMBL5106823 0.82 KDM4E (0.46) AKR1C3GAAAPPMAPTKMT2A
SCHEMBL5106822 0.82 KDM4E (0.46) AKR1C3GAAAPPMAPTKMT2A
SCHEMBL3212898 0.79 PPARG (0.71) PPARG
SCHEMBL3212887 0.79 PPARG (0.71) PPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 PPARG 52/4885AKR1C3 200/4885GAA 2633/4885

“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.