SCHEMBL5120948

SCHEMBL5120948

CCCOc1cc(Oc2ccc(C(F)(F)F)cn2)ccc1CCCO

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
THRB P10828 1/20 0.46
SCN9A Q15858 14/20 0.46
SCN10A Q9Y5Y9 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
LIPE Q05469 1/20 0.44

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
SCHEMBL5121328 0.97 MAPK1 (0.52) MAPK1THRBSCN9ASCN10ALMNA
SCHEMBL5119799 0.93 MAPK1 (0.58) MAPK1THRBSCN9ASCN10ALMNA
SCHEMBL5115379 0.91 SCN9A (0.52) MAPK1THRBSCN9ASCN10ALMNA
SCHEMBL5112062 0.89 PPARG (0.49) MAPK1THRBSCN9ASCN10ALMNA
SCHEMBL5110082 0.88 MAPK1 (0.47) MAPK1THRBSCN9ASCN10ALMNA
SCHEMBL5119266 0.86 MAPK1 (0.47) MAPK1THRBSCN9ASCN10ALMNA
SCHEMBL5114166 0.83 MAPK1 (0.49) MAPK1THRBSCN9ASCN10ALMNA
SCHEMBL5113718 0.82 MAPK1 (0.45) MAPK1THRBSCN9ASCN10ALMNA
SCHEMBL5120056 0.82 PPARG (0.49) MAPK1THRBSCN9ASCN10ALMNA
SCHEMBL5108842 0.81 MAPK1 (0.49) MAPK1SCN9ASCN10ALMNAHPGD

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 MAPK1 2249/4885THRB 438/4885SCN9A 781/4885

“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.