SCHEMBL18545280

SCHEMBL18545280

NCCNCCNCCNCCNCC(O)COCCCS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.38
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.33
LMNA P02545 3/20 0.32
CYP2C19 P33261 2/20 0.32
SLC6A6 P31641 1/20 0.32
BLM P54132 1/20 0.32
ANPEP P15144 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
ALOX15 P16050 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL23837976 0.97 APP (0.40) APPKDM4EHTTLMNACYP2C19
SCHEMBL19198573 0.91 KDM4E (0.36) KDM4EALDH1A1ADRB2HTR1A
SCHEMBL19660808 0.88 KDM4E (0.38) APPKDM4EHTTCYP2C19ALDH1A1
SCHEMBL23988563 0.88 KDM4E (0.38) APPKDM4EHTTCYP2C19CYP1A2
SCHEMBL23988566 0.83 KDM4E (0.34) KDM4ECYP1A2ADRB2HTR1A
SCHEMBL18545337 0.83 HTT (0.35) APPHTTCYP2C19CYP1A2CYP3A4
SCHEMBL23988525 0.82 KDM4E (0.38) APPKDM4EHTTCYP2C19CYP1A2
SCHEMBL23988529 0.82 CYP1A2 (0.34) KDM4ECYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL23988428 0.82 LPAR5 (0.35) KDM4EANPEPADRB2HTR1A
SCHEMBL12794818 0.80 KDM4E (0.44) KDM4EHTTLMNACYP2C19ANPEP

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 APP 3453/4885KDM4E 3063/4885HTT 2952/4885

“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.