SCHEMBL9927993

SCHEMBL9927993

CCCCC(CC)COCC(O)CN(CCCCCCN(CC(O)COCCC[Si](O)(O)O)CC(O)COCCC[Si](O)(O)O)CC(O)COCC(CC)CCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.45
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.34
LPAR5 Q9H1C0 1/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ATM Q13315 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
PLA2G2C Q5R387 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
SCHEMBL9927966 1.00 CYP3A4 (0.45) CYP3A4MMP9MMP8MMP14USP2
SCHEMBL9927986 1.00 CYP3A4 (0.45) CYP3A4MMP9MMP8MMP14USP2
SCHEMBL9927958 1.00 CYP3A4 (0.45) CYP3A4MMP9MMP8MMP14USP2
SCHEMBL9927957 0.95 CYP3A4 (0.47) CYP3A4MMP9MMP8MMP14USP2
SCHEMBL9927960 0.95 CYP3A4 (0.47) CYP3A4MMP9MMP8MMP14USP2
SCHEMBL9927962 0.95 CYP3A4 (0.47) CYP3A4MMP9MMP8MMP14USP2
SCHEMBL9928004 0.95 CYP3A4 (0.47) CYP3A4MMP9MMP8MMP14USP2
SCHEMBL9927959 0.94 CYP3A4 (0.52) CYP3A4MMP9MMP8MMP14USP2
SCHEMBL9927971 0.91 MMP9 (0.40) CYP3A4MMP9MMP8MMP14USP2
SCHEMBL9927976 0.91 MMP9 (0.40) CYP3A4MMP9MMP8MMP14USP2

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 10 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-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

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.