SCHEMBL3841767

SCHEMBL3841767

CCCCOC(F)(F)C(F)(F)[C](F)F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.33
TSHR P16473 1/20 0.33
CES1 P23141 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
ATM Q13315 1/20 0.30
FAAH O00519 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
SCHEMBL11198767 0.86
SCHEMBL3841746 0.82 CES1 (0.38) CES2CES1FAAH
SCHEMBL7263038 0.79 CES2 (0.39) CES2TSHRCES1ALDH1A1ATM
SCHEMBL2813689 0.77 ADRB2 (0.38) CES2TSHRCES1ALDH1A1ADRB2
SCHEMBL7261876 0.76 CES2 (0.37) CES2TSHRCES1ALDH1A1ATM
SCHEMBL8642592 0.75 ADRB2 (0.36) CES2TSHRCES1ALDH1A1ADRB2
SCHEMBL7565286 0.74 CES1 (0.37) CES2TSHRCES1ALDH1A1ADRB2
SCHEMBL3838507 0.74 CES1 (0.42) CES2CES1FAAH
SCHEMBL31425757 0.73 CES1 (0.35) CES2TSHRCES1ALDH1A1ADRB2
SCHEMBL9345099 0.73 CES1 (0.35) CES2TSHRCES1ALDH1A1ADRB2

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 CES2 462/4885TSHR 4284/4885CES1 1338/4885
US-20060089504-A1 Silsesquioxane derivative having functional group SFXN1, STS, SRM CES2 1360/4885TSHR 3118/4885CES1 2470/4885

“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.