SCHEMBL5113718

SCHEMBL5113718

COCOc1ccc(CCCO)c(Oc2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
SCN9A Q15858 5/20 0.43
PPARG P37231 5/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LIPE Q05469 2/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5112062 0.88 PPARG (0.49) MAPK1LMNAHPGDSCN9APPARG
SCHEMBL5120056 0.85 PPARG (0.49) MAPK1LMNAHPGDSCN9APPARG
SCHEMBL5115379 0.85 SCN9A (0.52) MAPK1LMNASCN9APPARGSCN10A
SCHEMBL3208166 0.84 PPARG (0.59) LMNAHPGDPPARGSMN1; SMN2
SCHEMBL5121328 0.83 MAPK1 (0.52) MAPK1LMNAHPGDSCN9APPARG
SCHEMBL5119799 0.83 MAPK1 (0.58) MAPK1LMNAHPGDSCN9ASCN10A
SCHEMBL5121147 0.82 MAPK1 (0.45) MAPK1LMNAHPGDSCN9APPARG
SCHEMBL5120948 0.82 MAPK1 (0.51) MAPK1LMNAHPGDSCN9ASCN10A
SCHEMBL5119266 0.81 MAPK1 (0.47) MAPK1LMNASCN9APPARGSCN10A
SCHEMBL5110082 0.80 MAPK1 (0.47) MAPK1LMNASCN9ASCN10ALIPE

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 2249/4885LMNA 3761/4885HPGD 4473/4885

“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.