SCHEMBL5113068

SCHEMBL5113068

CCCOc1cc(CCCO)n(Cc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGDR2 Q9Y5Y4 6/20 0.36
TLR8 Q9NR97 1/20 0.35
P2RY14 Q15391 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
PTGER4 P35408 1/20 0.34
CYP11B1 P15538 1/20 0.34

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
SCHEMBL5121178 0.86 PPARG (0.46) PPARGCYP11B1CYP11B2
SCHEMBL5110194 0.85 CYP11B1 (0.43) PPARGCYP11B1CYP11B2HTR2C
SCHEMBL5111582 0.83 PPARG (0.41) PPARGPTGESALOX5PTGDR2P2RY14
SCHEMBL28771360 0.83 PPARG (0.47) PPARGPTGESALOX5PTGDR2HDAC1
SCHEMBL3205522 0.82 PTGDR2 (0.47) PPARGPTGESALOX5PTGDR2
SCHEMBL3216344 0.80 PPARG (0.44) PPARGPTGESALOX5PTGDR2
SCHEMBL27716303 0.78 PPARG (0.42) PPARGPTGESALOX5PTGDR2P2RY14
SCHEMBL5114403 0.77 PPARG (0.58) PPARGPTGDR2
SCHEMBL5114716 0.77 PPARD (0.41) PPARGPTGESALOX5PTGDR2
SCHEMBL5112056 0.76 PPARG (0.61) 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 52/4885PTGES 4106/4885ALOX5 672/4885

“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.