SCHEMBL9927974

SCHEMBL9927974

CCCCC(CC)COCC(O)CN(CCN)CC(O)COCCC[Si](OC)(OC)OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
HTT P42858 1/20 0.36
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.31
TSHR P16473 1/20 0.30
ATM Q13315 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 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
SCHEMBL9927968 0.93 CYP3A4 (0.45) CYP3A4MMP9MMP8MMP14HTT
SCHEMBL9927978 0.93 CYP3A4 (0.45) CYP3A4MMP9MMP8MMP14HTT
SCHEMBL9927996 0.93 CYP3A4 (0.45) CYP3A4MMP9MMP8MMP14HTT
SCHEMBL9927972 0.93 CYP3A4 (0.45) CYP3A4MMP9MMP8MMP14HTT
SCHEMBL9927983 0.93 CYP3A4 (0.50) CYP3A4MMP9MMP8MMP14HTT
SCHEMBL16298549 0.92 CYP3A4 (0.43) CYP3A4MMP9MMP8MMP14HTT
SCHEMBL9928019 0.92 CYP3A4 (0.43) CYP3A4MMP9MMP8MMP14HTT
SCHEMBL23837954 0.91 CYP3A4 (0.43) CYP3A4MMP9MMP8MMP14HTT
SCHEMBL12269731 0.91 CYP3A4 (0.43) CYP3A4MMP9MMP8MMP14HTT
SCHEMBL9927990 0.91 CYP3A4 (0.43) CYP3A4MMP9MMP8MMP14HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678343-B1 REDUCING ALUMINOSILICATE SCALE IN THE BAYER PROCESS NALCO CO (US) 2021-09-22 EP disclosed
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 CYP3A4 4175/4885MMP9 2567/4885MMP8 2731/4885

“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.