SCHEMBL15218989

SCHEMBL15218989

NCCNCCNCCNCCNCC(O)COCCC[Si](O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 1/20 0.35
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA12 O43570 2/20 0.33
CA6 P23280 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
ALOX15 P16050 1/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL9927953 0.97 KDM4E (0.38) ADRB2HTR1AKDM4EHTTALDH1A1
SCHEMBL15218991 0.94 KDM4E (0.40) ADRB2HTR1AKDM4EHTTALDH1A1
SCHEMBL15218995 0.92 KDM4E (0.41) ADRB2HTR1AKDM4EHTTALDH1A1
SCHEMBL15218992 0.89 HTT (0.34) ADRB2HTR1AHTTALDH1A1
SCHEMBL9928070 0.89 HTT (0.34) ADRB2HTR1AHTTALDH1A1
SCHEMBL19660807 0.87 KDM4E (0.40) ADRB2HTR1AKDM4EHTTALDH1A1
SCHEMBL24306538 0.87 ADRB2 (0.39) ADRB2HTR1AKDM4EHTTLMNA
SCHEMBL16298538 0.87 KDM4E (0.42) ADRB2KDM4EHTTLMNAALDH1A1
SCHEMBL29321211 0.86 ADRB2 (0.38) ADRB2HTR1AKDM4EHTTLMNA
SCHEMBL15218975 0.86 KDM4E (0.39) ADRB2HTR1AKDM4EHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 ADRB2 4686/4885HTR1A 4172/4885KDM4E 3063/4885

“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.