SCHEMBL9928007

SCHEMBL9928007

CC(O)CNCC(O)COCCC[Si](O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.36
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CASR P41180 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADRB2 P07550 2/20 0.30
ADRB1 P08588 2/20 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
SCHEMBL15218995 0.85 KDM4E (0.41) KDM4EUSP2HTTCASRADRB2
SCHEMBL9927980 0.84 KDM4E (0.40) KDM4EHSD17B10USP2HTTTDP1
SCHEMBL15218991 0.83 KDM4E (0.40) KDM4EUSP2HTTCASRADRB2
SCHEMBL19660807 0.83 KDM4E (0.40) KDM4EUSP2HTTCASRADRB2
SCHEMBL16298540 0.83 KDM4E (0.44) KDM4EHSD17B10USP2HTTCASR
SCHEMBL15218975 0.82 KDM4E (0.39) KDM4EUSP2HTTCASRADRB2
SCHEMBL9927953 0.81 KDM4E (0.38) KDM4EUSP2HTTCASRCYP1A2
SCHEMBL16298538 0.80 KDM4E (0.42) KDM4EHSD17B10USP2HTTCASR
SCHEMBL29321208 0.79 KDM4E (0.37) KDM4EUSP2HTTCASRCYP1A2
SCHEMBL20873151 0.78 KDM4E (0.36) KDM4ECYP1A2CYP3A4CYP2C19ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944534-B2 Reducing aluminosilicate scale in the Bayer process ECOLAB USA INC. (US) 2018-04-17 US disclosed
US-9944534-B2 Reducing aluminosilicate scale in the Bayer process ECOLAB USA INC. (US) 2018-04-17 US disclosed
US-20170050861-A1 Reducing Aluminosilicate Scale in the Bayer Process NALCO COMPANY (US) 2017-02-23 US disclosed
US-20170050861-A1 Reducing Aluminosilicate Scale in the Bayer Process NALCO COMPANY (US) 2017-02-23 US disclosed
US-9487408-B2 Reducing aluminosilicate scale in the bayer process NALCO COMPANY (US) 2016-11-08 US disclosed
US-9487408-B2 Reducing aluminosilicate scale in the bayer process NALCO COMPANY (US) 2016-11-08 US disclosed
US-8889096-B2 Reducing aluminosilicate scale in the bayer process NALCO COMPANY (US) 2014-11-18 US disclosed
US-8889096-B2 Reducing aluminosilicate scale in the bayer process NALCO COMPANY (US) 2014-11-18 US disclosed
WO-2013126683-A1 REDUCING ALUMINOSILICATE SCALE IN THE BAYER PROCESS NALCO COMPANY (US) 2013-08-29 WO disclosed
US-20120148462-A1 REDUCING ALUMINOSILICATE SCALE IN THE BAYER PROCESS ECOLAB USA INC. 2012-06-14 US disclosed
US-20120148462-A1 REDUCING ALUMINOSILICATE SCALE IN THE BAYER PROCESS ECOLAB USA INC. 2012-06-14 US disclosed
US-20110212006-A1 REDUCING ALUMINOSILICATE SCALE IN THE BAYER PROCESS ECOLAB USA INC. 2011-09-01 US disclosed
US-20110212006-A1 REDUCING ALUMINOSILICATE SCALE IN THE BAYER PROCESS ECOLAB USA INC. 2011-09-01 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 (1 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-20170050861-A1 Reducing Aluminosilicate Scale in the Bayer Process DSP, SOST, SORD KDM4E 3063/4885HSD17B10 4140/4885USP2 2966/4885

“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.