SCHEMBL9928010

SCHEMBL9928010

CCCCC(CC)COCC(O)CN(CCN)CCNCCNCCN

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.45
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
ALDH1A1 P00352 4/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
TSHR P16473 3/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL9928018 0.96 CYP3A4 (0.48) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL9928049 0.88 CYP3A4 (0.44) CYP3A4MMP9MMP8MMP14HTT
SCHEMBL16298535 0.88 CYP3A4 (0.44) CYP3A4MMP9MMP8MMP14HTT
SCHEMBL16298549 0.86 CYP3A4 (0.43) CYP3A4MMP9MMP8MMP14HTT
SCHEMBL9928019 0.86 CYP3A4 (0.43) CYP3A4MMP9MMP8MMP14HTT
SCHEMBL9928051 0.86 CYP3A4 (0.44) CYP3A4MMP9MMP8MMP14HTT
SCHEMBL9928054 0.86 CYP3A4 (0.44) CYP3A4MMP9MMP8MMP14HTT
SCHEMBL9928052 0.85 CYP3A4 (0.46) CYP3A4MMP9MMP8MMP14HTT
SCHEMBL9928057 0.85 CYP3A4 (0.46) CYP3A4MMP9MMP8MMP14HTT
SCHEMBL9928058 0.84 CYP3A4 (0.41) 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 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 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.