SCHEMBL5375976

SCHEMBL5375976

O=C(O)COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
CES2 O00748 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL19049755 1.00 THRB (0.39) THRBCES2TSHRSMN1; SMN2
SCHEMBL7939677 0.98 THRB (0.35) THRBCES2TSHRSMN1; SMN2
SCHEMBL24840638 0.85 THRB (0.36) THRB
SCHEMBL8669213 0.81 THRB (0.32) THRB
SCHEMBL24380474 0.81
SCHEMBL8854144 0.81 LMNA (0.33)
SCHEMBL8071570 0.81 LMNA (0.33)
SCHEMBL18129218 0.80 THRB (0.41) THRBTSHRSMN1; SMN2
SCHEMBL5376193 0.80
SCHEMBL4391933 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226578-B2 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis SHERING AG (DE) 2007-06-05 US disclosed
US-6916461-B2 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis SCHERING AG (DE) 2005-07-12 US disclosed
US-20050147563-A1 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-07-07 US disclosed
US-20030232012-A1 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis SCHERING AG (DE) 2003-12-18 US disclosed
US-6468502-B1 PARAMAGNETIC MACROMOLECULES WITH HIGHER PROTON RELAXIVITY; LOWER DOSAGE AND INCREASED SIGNAL INTENSITY; DETECTING VASCULAR DISEASES; DIFFERENTIATING TISSUE BLOOD SUPPLY LEVELS; DISTINGUISHING MYOCARDIAL INFARCTION FROM ISCHEMIA SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-22 US disclosed
EP-0874645-B1 PERFLUOROALKYL-CONTAINING METAL COMPLEXES AND THEIR USE IN NMR DIAGNOSTICS SCHERING AG (DE) 2002-04-03 EP disclosed
US-6180113-B1 USED IN TUMOR THERAPY AND INTERVENTIONAL RADIOLOGY SCHERING AG (DE) 2001-01-30 US 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-20050147563-A1 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis FABP1, FLOT1, AFF1 THRB 2180/4885CES2 2525/4885TSHR 892/4885

“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.