SCHEMBL1840267

SCHEMBL1840267

FC(F)(F)Oc1ccccc1P(c1ccccc1)c1ccccc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
SCN9A Q15858 4/20 0.34
TRPA1 O75762 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
GAA P10253 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL1838651 0.88 GAA (0.37) RXRARXRBRXRGSCN9ATRPA1
SCHEMBL17579741 0.81 RXRA (0.35) RXRARXRBRXRGSCN9ATRPA1
SCHEMBL1837567 0.81 CYP3A4 (0.41) CYP3A4TDP1ESR1ESR2GAA
SCHEMBL1768262 0.79 SCN9A (0.37) CYP3A4TDP1SCN9ATRPA1FFAR4
SCHEMBL30992110 0.74 CA1 (0.50) CYP3A4TDP1TRPA1ESR1ESR2
SCHEMBL476857 0.74 CA1 (0.50) CYP3A4TDP1TRPA1ESR1ESR2
SCHEMBL4654446 0.73 RXRA (0.47) RXRARXRBRXRGSCN9ATRPA1
SCHEMBL17617098 0.73 SLC6A2 (0.32) RXRARXRBRXRGHSD11B1SLC6A2
SCHEMBL1836758 0.73 ALDH1A1 (0.39) ALDH1A1L3MBTL1SLC6A2SLC6A4KCNH2
SCHEMBL101880 0.73 CYP3A4 (0.50) CYP3A4TDP1ESR1ESR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321244-B1 IMPROVED PROCESS FOR TELOMERIZATION OF BUTADIENE DOW GLOBAL TECHNOLOGIES LLC (US) 2016-12-21 EP disclosed
US-8558030-B2 Process for telomerization of butadiene DOW GLOBAL TECHNOLOGIES LLC (US) 2013-10-15 US disclosed
US-20110137086-A1 PROCESS FOR TELOMERIZATION OF BUTADIENE Dow Global Technologies LLC (Formerly known as Dow Global Technologies Inc.) (US) 2011-06-09 US disclosed
EP-2321244-A2 AN IMPROVED PROCESS FOR TELOMERIZATION OF BUTADIENE Dow Global Technologies LLC (US) 2011-05-18 EP disclosed
WO-2010019360-A2 AN IMPROVED PROCESS FOR TELOMERIZATION OF BUTADIENE DOW GLOBAL TECHNOLOGIES INC. (US) 2010-02-18 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-20110137086-A1 PROCESS FOR TELOMERIZATION OF BUTADIENE HRH3, HRH4, TELO2 CYP3A4 1711/4885TDP1 646/4885RXRA 1628/4885

“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.