SCHEMBL3958320

SCHEMBL3958320

O=C(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MMP1 P03956 2/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
MMP8 P22894 2/20 0.31
MMP13 P45452 2/20 0.31

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
Boric Acid SCHEMBL28919180 0.93 THRB (0.36) THRB
SCHEMBL25869993 0.85 THRB (0.34) THRB
SCHEMBL28720201 0.84 THRB (0.32) THRB
Boric Acid SCHEMBL28599114 0.84 THRB (0.32) THRB
SCHEMBL4390006 0.84 THRB (0.38) THRB
SCHEMBL4401769 0.84 THRB (0.38) THRB
SCHEMBL4400459 0.84 THRB (0.38) THRB
SCHEMBL8394487 0.84 THRB (0.38) THRB
SCHEMBL7712281 0.84 THRB (0.38) THRB
Water SCHEMBL9576965 0.84 THRB (0.33) THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261398-B2 USE OF FLUORINATED KETONES IN FIRE EXTINGUISHING COMPOSITIONS 3M INNOVATIVE PROPERTIES CO (US) 2016-04-13 EP disclosed
EP-1362619-B1 Fire extinguishing composition 3M INNOVATIVE PROPERTIES CO (US) 2009-07-15 EP disclosed
EP-1261398-B1 USE OF FLUORINATED KETONES IN FIRE EXTINGUISHING COMPOSITIONS 3M INNOVATIVE PROPERTIES CO (US) 2004-09-29 EP disclosed
EP-1362619-A2 Fire extinguishing composition 3M Innovative Properties Company (US) 2003-11-19 EP disclosed
US-6630075-B2 Applying fluorinated ketone containing </= 2 hydrogen atoms and having a boiling point 0-150 degrees c 3M INNOVATIVE PROPERTIES COMPANY 2003-10-07 US disclosed
US-20030089877-A1 Use of fluorinated ketones in fire extinguishing compositions 3M INNOVATIVE PROPERTIES COMPANY 2003-05-15 US disclosed
EP-1261398-A2 USE OF FLUORINATED KETONES IN FIRE EXTINGUISHING COMPOSITIONS 3M Innovative Properties Company (US) 2002-12-04 EP disclosed
US-6478979-B1 Use of fluorinated ketones in fire extinguishing compositions 3M INNOVATIVE PROPERTIES COMPANY 2002-11-12 US disclosed
WO-2001005468-A2 USE OF FLUORINATED KETONES IN FIRE EXTINGUISHING COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-01-25 WO 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-20030089877-A1 Use of fluorinated ketones in fire extinguishing compositions PFAS, FLNA, PFKFB2 THRB 2233/4885CA1 462/4885CA2 1263/4885

“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.