SCHEMBL3084517

SCHEMBL3084517

O=C(O)C=CCC(F)(F)C(F)(F)CC=CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
GABRR1 P24046 2/20 0.46
GABRR2 P28476 2/20 0.46
BLM P54132 2/20 0.46
GABRR3 A8MPY1 1/20 0.46
LMNA P02545 1/20 0.46
APEX1 P27695 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
HCAR2 Q8TDS4 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
SCHEMBL3084515 1.00 TSHR (0.46) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL1538365 0.90 TSHR (0.42) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL712787 0.90 TSHR (0.42) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL7076723 0.85 GABRR1 (0.35) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL14801551 0.84 TSHR (0.46) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL455399 0.84 TSHR (0.46) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL4600709 0.83 THRB (0.40) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL20625018 0.80 TSHR (0.42) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL8076447 0.78 TSHR (0.41) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL2583139 0.78 GABRR1 (0.33) TSHRGABRR1GABRR2BLMGABRR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030194378-A1 Novel aerosol formulation containing a polar fluorinated molecule ASTRAZENECA AB (SE) 2003-10-16 US claimed
EP-2222740-B1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2017-10-11 EP disclosed
US-9499649-B2 Functionalized photoreactive compounds ROLIC AG (CH) 2016-11-22 US disclosed
US-8574454-B2 Patternable liquid crystal polymer comprising thio-ether units ROLIC AG (CH) 2013-11-05 US disclosed
EP-2094815-B1 PATTERNABLE LIQUID CRYSTAL POLYMER COMPRISING THIO-ETHER UNITS ROLIC AG (CH) 2012-06-27 EP disclosed
US-20100266821-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2010-10-21 US disclosed
EP-2222740-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS Rolic AG (CH) 2010-09-01 EP disclosed
US-20100059709-A1 PATTERNABLE LIQUID CRYSTAL POLYMER COMPRISING THIO-ETHER UNITS ROLIC AG (CH) 2010-03-11 US disclosed
EP-2094815-A1 PATTERNABLE LIQUID CRYSTAL POLYMER COMPRISING THIO-ETHER UNITS Rolic AG (CH) 2009-09-02 EP disclosed
WO-2009080147-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2009-07-02 WO disclosed
WO-2008077261-A1 PATTERNABLE LIQUID CRYSTAL POLYMER COMPRISING THIO-ETHER UNITS ROLIC AG (CH) 2008-07-03 WO disclosed
US-20070272309-A1 Composite Polymer Microfludic Control Device EKSIGENT TECHNOLOGIES, LLC 2007-11-29 US disclosed
EP-1303258-B1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE ASTRAZENECA AB (SE) 2006-10-11 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-20100266821-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ETV6, TERB1, VCL TSHR 2049/4885GABRR1 2957/4885GABRR2 2628/4885

“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.