SCHEMBL18545358

SCHEMBL18545358

CCCCC(CC)COCC(O)CNCCNCCNCCN(CCNCC(O)COCCCS(=O)(=O)O)CC(O)COCCCS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
CYP3A4 P08684 2/20 0.37
RECQL P46063 1/20 0.32
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 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
SCHEMBL18545357 0.98 MMP9 (0.40) MMP9MMP8MMP14CYP3A4RECQL
SCHEMBL23837967 0.96 MMP9 (0.41) MMP9MMP8MMP14CYP3A4RECQL
SCHEMBL15218977 0.94 CYP3A4 (0.41) MMP9MMP8MMP14CYP3A4RECQL
SCHEMBL15218985 0.94 MMP9 (0.38) MMP9MMP8MMP14CYP3A4
SCHEMBL15218986 0.92 MMP9 (0.38) MMP9MMP8MMP14CYP3A4
SCHEMBL23837955 0.91 MMP9 (0.46) MMP9MMP8MMP14CYP3A4RECQL
SCHEMBL23837945 0.90 MMP9 (0.40) MMP9MMP8MMP14CYP3A4RECQL
SCHEMBL23837947 0.90 MMP9 (0.39) MMP9MMP8MMP14CYP3A4RECQL
SCHEMBL23837959 0.88 MMP9 (0.46) MMP9MMP8MMP14CYP3A4RECQL
SCHEMBL23837961 0.86 CYP3A4 (0.45) MMP9MMP8MMP14CYP3A4RECQL

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 2 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-20170050861-A1 Reducing Aluminosilicate Scale in the Bayer Process NALCO COMPANY (US) 2017-02-23 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 MMP9 2567/4885MMP8 2731/4885MMP14 3044/4885

“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.