SCHEMBL5120100

SCHEMBL5120100

CC(C)Oc1cc(CCCO)n(Cc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.50
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
PTGS2 P35354 1/20 0.36
POLB P06746 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5120275 0.87 PPARG (0.48) PPARGPTGS2POLBMEN1CYP1A2
SCHEMBL5118890 0.86 PPARG (0.57) PPARGMEN1KMT2ASMN1; SMN2
SCHEMBL5109458 0.85 PPARG (0.48) PPARG
SCHEMBL5114784 0.84 PPARG (0.47) PPARGPOLB
SCHEMBL5112024 0.83 PPARG (0.42) PPARG
SCHEMBL5113441 0.82 PPARG (0.54) PPARGMEN1KMT2A
SCHEMBL5111013 0.82 PPARG (0.53) PPARG
SCHEMBL5110194 0.81 CYP11B1 (0.43) PPARGCYP11B1CYP11B2POLBCYP1A2
SCHEMBL5120863 0.81 PPARG (0.40) PPARGCYP1A2
SCHEMBL5110607 0.80 PPARG (0.74) 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 52/4885CYP11B1 620/4885CYP11B2 804/4885

“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.