SCHEMBL3841746

SCHEMBL3841746

CCCCCOC(F)(F)C(F)(F)C(F)(F)[C](F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.38
CES2 O00748 2/20 0.38
FAAH O00519 7/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MAPT P10636 1/20 0.31
LPAR3 Q9UBY5 6/20 0.31
LPAR2 Q9HBW0 5/20 0.31
LPAR1 Q92633 2/20 0.31
NAAA Q02083 1/20 0.31
CYP1A2 P05177 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL3841767 0.82 CES2 (0.33) CES1CES2FAAH
SCHEMBL7566221 0.78 CES1 (0.47) CES1CES2FAAHMEN1KMT2A
SCHEMBL7558796 0.78 CES1 (0.47) CES1CES2FAAHMEN1KMT2A
SCHEMBL7558673 0.78 CES1 (0.47) CES1CES2FAAHMEN1KMT2A
SCHEMBL28697618 0.78 CES1 (0.46) CES1CES2FAAHMEN1KMT2A
SCHEMBL3838507 0.77 CES1 (0.42) CES1CES2FAAHMEN1KMT2A
SCHEMBL29132605 0.76 CES1 (0.44) CES1CES2FAAHMEN1KMT2A
SCHEMBL6934615 0.75 CES1 (0.47) CES1CES2FAAHMEN1KMT2A
SCHEMBL17830631 0.74 CES1 (0.40) CES1CES2FAAHMEN1KMT2A
SCHEMBL9017271 0.74 CES2 (0.44) CES1CES2FAAHMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1550664-B1 SILICON COMPOUND JNC CORP (JP) 2012-06-27 EP disclosed
EP-1650214-B1 Silicon compound CHISSO CORP (JP) 2009-11-04 EP disclosed
EP-1686133-B1 Organosilicon compound CHISSO CORP (JP) 2008-08-20 EP disclosed
US-7399819-B2 Silicon compound CHISSO CORPORATION (JP) 2008-07-15 US disclosed
US-7375170-B2 Organosilicon compound CHISSO CORPORATION (JP) 2008-05-20 US disclosed
EP-1849787-A1 Organosilicon compound Chisso Corporation (JP) 2007-10-31 EP disclosed
EP-1849788-A1 Organosilicon compound Chisso Corporation (JP) 2007-10-31 EP disclosed
US-7256243-B2 Silicon compound CHISSO CORPORATION (JP) 2007-08-14 US disclosed
US-7235619-B2 Silsesquioxane derivative CHISSO CORPORATION (JP) 2007-06-26 US disclosed
US-20060175684-A1 Organosilicon compound JNC PETROCHEMICAL CORPORATION (JP) 2006-08-10 US disclosed
EP-1686133-A2 Organosilicon compound CHISSO CORPORATION (JP) 2006-08-02 EP disclosed
US-7053167-B2 Silsesquioxane derivative having functional group CHISSO CORPORATION (JP) 2006-05-30 US disclosed
US-20060094849-A1 Silicon compound JNC CORPORATION (JP) 2006-05-04 US disclosed
US-20060089504-A1 Silsesquioxane derivative having functional group ITO KENYA 2006-04-27 US disclosed
EP-1650214-A2 Silicon compound CHISSO CORPORATION (JP) 2006-04-26 EP disclosed
US-20050250925-A1 Silicon compound JNC CORPORATION (JP) 2005-11-10 US disclosed
US-20050215807-A1 Silsesquioxane derivative JNC CORPORATION (JP) 2005-09-29 US disclosed
EP-1550664-A1 SILICON COMPOUND CHISSO CORPORATION (JP) 2005-07-06 EP disclosed
US-20040068074-A1 Production process for silsesquioxane derivative having functional group and silsesquioxane derivative JNC CORPORATION (JP) 2004-04-08 US disclosed
US-20040030084-A1 Production process for silsesquioxane derivative and silsesquioxane derivative JNC CORPORATION (JP) 2004-02-12 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-20050215807-A1 Silsesquioxane derivative STS, SFXN1, SULT1A1 CES1 1338/4885CES2 462/4885FAAH 3878/4885
US-20060089504-A1 Silsesquioxane derivative having functional group SFXN1, STS, SRM CES1 2470/4885CES2 1360/4885FAAH 4260/4885

“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.