SCHEMBL15218995

SCHEMBL15218995

OC(CNCCNCC(O)COCCC[Si](O)(O)O)COCCC[Si](O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.33
CASR P41180 1/20 0.33
HTT P42858 1/20 0.33
ADRB2 P07550 3/20 0.32
HTR1A P08908 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
POLB P06746 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
SCHEMBL15218991 0.98 KDM4E (0.40) KDM4EUSP2CASRHTTADRB2
SCHEMBL19660807 0.95 KDM4E (0.40) KDM4EUSP2CASRHTTADRB2
SCHEMBL15218975 0.93 KDM4E (0.39) KDM4EUSP2CASRHTTADRB2
SCHEMBL15218989 0.92 ADRB2 (0.36) KDM4EHTTADRB2HTR1AALDH1A1
SCHEMBL9927953 0.92 KDM4E (0.38) KDM4EUSP2CASRHTTADRB2
SCHEMBL16298538 0.91 KDM4E (0.42) KDM4EUSP2CASRHTTADRB2
SCHEMBL29321208 0.90 KDM4E (0.37) KDM4EUSP2CASRHTTADRB2
SCHEMBL16298540 0.90 KDM4E (0.44) KDM4EUSP2CASRHTTADRB2
SCHEMBL23988425 0.86 LPAR5 (0.35) KDM4E
SCHEMBL23988528 0.86 ADRB2 (0.35) KDM4EADRB2HTR1AALDH1A1ADRB1

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 7 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
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
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-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 KDM4E 3063/4885USP2 2966/4885CASR 612/4885

“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.