SCHEMBL1645835

SCHEMBL1645835

O=C(c1ccccc1)C(O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.64
SRC P12931 1/20 0.47
CES2 O00748 2/20 0.44
TSHR P16473 2/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA2 P00918 2/20 0.44
POLB P06746 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PDK1 Q15118 4/20 0.41
PDK2 Q15119 4/20 0.41
PDK3 Q15120 4/20 0.41
PDK4 Q16654 4/20 0.41
ABCC9 O60706 2/20 0.41
ABCC8 Q09428 2/20 0.41
KCNJ11 Q14654 2/20 0.41
KCNJ8 Q15842 2/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41

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
SCHEMBL10528373 0.79 CES1 (0.67) CES1SRCCES2TSHRDAO
SCHEMBL1056586 0.79 CES1 (0.67) CES1SRCCES2TSHRDAO
SCHEMBL454667 0.78 CA2 (0.71) CES1CES2ALDH1A1CA2NPSR1
SCHEMBL7907262 0.78 CES1 (0.73) CES1SRCCES2TSHRDAO
SCHEMBL33083 0.78 CES1 (1.00) CES1CES2TSHRDAONAPRT
Benzene SCHEMBL27672585 0.78 CES1 (1.00) CES1CES2TSHRDAONAPRT
SCHEMBL8780870 0.77 CES1 (0.64) CES1SRCCES2TSHRDAO
Water SCHEMBL8534837 0.77 CES1 (0.64) CES1SRCCES2TSHRDAO
SCHEMBL27972618 0.77 CES1 (0.64) CES1SRCCES2TSHRDAO
SCHEMBL680607 0.77 CES1 (0.57) CES1SRCCES2TSHRDAO

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
US-20120289670-A1 Fluorinated Alkoxy-Imino Catalyst Components TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2012-11-15 US disclosed
US-20110312489-A1 Fluorinated Alkoxy-Imino Catalyst Components TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2011-12-22 US disclosed
US-8026192-B2 Fluorinated alkoxy-imino catalyst components TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2011-09-27 US disclosed
EP-2064218-B8 FLUORINATED ALKOXY-IMINO CATALYST COMPONENTS TOTAL PETROCHEMICALS RES FELUY (BE) 2011-09-14 EP disclosed
EP-2064218-B1 FLUORINATED ALKOXY-IMINO CATALYST COMPONENTS TOTAL PETROCHEMICALS RES FELUY (BE) 2011-04-20 EP disclosed
US-20100029472-A1 Fluorinated Alkoxy-Imino Catalyst Components TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2010-02-04 US disclosed
EP-2064218-A1 FLUORINATED ALKOXY-IMINO CATALYST COMPONENTS Total Petrochemicals Research Feluy (BE) 2009-06-03 EP disclosed
WO-2008031890-A1 FLUORINATED ALKOXY-IMINO CATALYST COMPONENTS. TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2008-03-20 WO disclosed
EP-1900722-A1 Fluorinated alkoxy-imino catalyst components TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2008-03-19 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 (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-20110312489-A1 Fluorinated Alkoxy-Imino Catalyst Components FLI1, INF2, FOS CES1 4394/4885SRC 1037/4885CES2 2068/4885
US-20100029472-A1 Fluorinated Alkoxy-Imino Catalyst Components FLI1, INF2, FOS CES1 4394/4885SRC 1037/4885CES2 2068/4885

“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.