SCHEMBL9928013

SCHEMBL9928013

CO[Si](CCCOCC(O)CN(CCNCCN)CCNCCN)(OC)OC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
CASR P41180 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 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
SCHEMBL9928012 0.96 HTT (0.36) HTT
SCHEMBL16298571 0.96 HTT (0.38) HTTCYP2C19CYP2C9CASRUSP2
SCHEMBL9928041 0.94 HTT (0.35) HTTCASRALDH1A1
SCHEMBL16298576 0.94 HTT (0.35) HTTCASRALDH1A1
SCHEMBL9928079 0.91 HTT (0.33) HTTCASR
SCHEMBL9928084 0.91 HTT (0.33) HTTCASR
SCHEMBL15218971 0.91 HTT (0.34) HTTCASR
SCHEMBL18102292 0.90 HTT (0.34) HTTCASRUSP2
SCHEMBL9928080 0.89 HTT (0.32) HTTCASR
SCHEMBL9928076 0.89 HTT (0.32) HTTCASR

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 9 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
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

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 HTT 2952/4885CYP2C19 4710/4885CYP2C9 4327/4885

“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.