SCHEMBL3842389

SCHEMBL3842389

[CH2]CCOCC(F)(F)C(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL3844512 0.86 ALDH1A1 (0.34) ALDH1A1TP53SMN1; SMN2NPSR1MAPT
SCHEMBL29300080 0.85 ALDH1A1 (0.39) ALDH1A1TP53SMN1; SMN2NPSR1MAPT
SCHEMBL9653822 0.80 MAPT (0.35) ALDH1A1TP53SMN1; SMN2NPSR1MAPT
SCHEMBL648441 0.79 MAPT (0.39) ALDH1A1TP53SMN1; SMN2NPSR1MAPT
SCHEMBL11897282 0.78 ALDH1A1 (0.36) ALDH1A1TP53SMN1; SMN2NPSR1MAPT
SCHEMBL11897934 0.76 ALDH1A1 (0.36) ALDH1A1TP53SMN1; SMN2NPSR1MAPT
SCHEMBL11897790 0.76 ALDH1A1 (0.39) ALDH1A1TP53SMN1; SMN2NPSR1MAPT
SCHEMBL9652302 0.76 TSHR (0.41) ALDH1A1TP53SMN1; SMN2NPSR1MAPT
SCHEMBL11995948 0.74 SMN1; SMN2 (0.38) ALDH1A1TP53SMN1; SMN2NPSR1MAPT
SCHEMBL31726014 0.74 ALDH1A1 (0.38) ALDH1A1TP53SMN1; SMN2NPSR1MAPT

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 23 patents — showing the first 20. 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
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
EP-1546225-A1 ELASTOMERIC, EXPANDABLE HYDROGEL COMPOSITIONS BAUSCH & LOMB INCORPORATED (US) 2005-06-29 EP disclosed
US-20040068074-A1 Production process for silsesquioxane derivative having functional group and silsesquioxane derivative JNC CORPORATION (JP) 2004-04-08 US disclosed
WO-2004026928-A1 ELASTOMERIC, EXPANDABLE HYDROGEL COMPOSITIONS BAUSCH & LOMB INCORPORATED (US) 2004-04-01 WO disclosed
US-20040054026-A1 Elastomeric, expandable hydrogel compositions BAUSCH & LOMB INCORPORATED 2004-03-18 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 (3 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 ALDH1A1 535/4885TP53 3637/4885SMN1; SMN2 2308/4885
US-20060089504-A1 Silsesquioxane derivative having functional group SFXN1, STS, SRM ALDH1A1 597/4885TP53 4301/4885SMN1; SMN2 2580/4885
US-20040054026-A1 Elastomeric, expandable hydrogel compositions UACA, CRYAA, LAGE3 ALDH1A1 2579/4885TP53 2038/4885SMN1; SMN2 4423/4885

“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.