SCHEMBL1726464

SCHEMBL1726464

O=C(Cl)CC(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 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
SCHEMBL1727615 0.92 THRB (0.37) THRBTSHRCA1CA2MMP1
SCHEMBL1727333 0.90 THRB (0.41) THRBCA1CA2MMP1MMP2
SCHEMBL9316060 0.90 THRB (0.41) THRBCA1CA2MMP1MMP2
SCHEMBL16941870 0.83 TSHR (0.35) TSHR
SCHEMBL28661533 0.83 TSHR (0.38) TSHR
SCHEMBL28457985 0.77 TET2 (0.35)
SCHEMBL866291 0.76 THRB (0.35) THRB
SCHEMBL866292 0.76 ACLY (0.41) THRBTSHR
SCHEMBL1727128 0.75 TSHR (0.35) THRBTSHR
SCHEMBL497556 0.74 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012012804-A3 DEVICES FOR SECURING A JUNIOR GOLF BAG TO A GOLF CART AND METHODS OF USE THEREOF MIZE FREDY (US) 2012-05-10 WO disclosed
EP-2173703-B1 FLUOROALKYL SURFACTANTS DU PONT (US) 2011-11-30 EP disclosed
US-7842626-B2 Partially fluorinated compositions and surface active agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-30 US disclosed
US-7638650-B2 Fluoroalkyl surfactants E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-12-29 US disclosed
US-20090043130-A1 Fluoroalkyl surfactants E. I. DU PONT DE NEMOURS AND COMPANY 2009-02-12 US disclosed
US-20080113172-A1 Partially fluorinated compositions and surface active agents E. I. DU PONT DE NEMOURS AND COMPANY 2008-05-15 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 (2 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-20080113172-A1 Partially fluorinated compositions and surface active agents FLNB, FLNA, FSCN1 THRB 3891/4885TSHR 4460/4885CA1 3299/4885
US-20090043130-A1 Fluoroalkyl surfactants CBR1, CBR3, NHERF1 THRB 3050/4885TSHR 2522/4885CA1 3177/4885

“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.