SCHEMBL3844512

SCHEMBL3844512

[CH2]CCCOCC(F)(F)C(F)F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL3842389 0.86 ALDH1A1 (0.39) ALDH1A1NPSR1TP53SMN1; SMN2MAPT
SCHEMBL29300080 0.81 ALDH1A1 (0.39) ALDH1A1NPSR1TP53SMN1; SMN2MAPT
SCHEMBL11897766 0.80 ALDH1A1 (0.35) ALDH1A1NPSR1TP53SMN1; SMN2MAPT
SCHEMBL32678573 0.80 ALDH1A1 (0.35) ALDH1A1NPSR1TP53SMN1; SMN2MAPT
SCHEMBL8538185 0.78 CES1 (0.46) ALDH1A1NPSR1TP53SMN1; SMN2MAPT
SCHEMBL11995955 0.77 ALDH1A1 (0.36) ALDH1A1NPSR1TP53SMN1; SMN2MAPT
SCHEMBL9653822 0.77 MAPT (0.35) ALDH1A1NPSR1TP53SMN1; SMN2MAPT
SCHEMBL126277 0.77 CES1 (0.33)
SCHEMBL648441 0.75 MAPT (0.39) ALDH1A1NPSR1TP53SMN1; SMN2MAPT
SCHEMBL25135251 0.75 ALDH1A1 (0.33) ALDH1A1TP53SMN1; SMN2MAPTPOLB

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-1849788-A1 Organosilicon compound Chisso Corporation (JP) 2007-10-31 EP disclosed
EP-1849787-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 ALDH1A1 535/4885NPSR1 1209/4885TP53 3637/4885
US-20060089504-A1 Silsesquioxane derivative having functional group SFXN1, STS, SRM ALDH1A1 597/4885NPSR1 1184/4885TP53 4301/4885

“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.