SCHEMBL1760618

SCHEMBL1760618

CCCCCCCCN(C)C(=O)CCl

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PAX8 Q06710 2/20 0.51
JAK2 O60674 1/20 0.51
ALDH1A1 P00352 3/20 0.51
TP53 P04637 2/20 0.51
EPHX2 P34913 6/20 0.50
GPX4 P36969 1/20 0.45
DNM1 Q05193 5/20 0.44
SIGMAR1 Q99720 1/20 0.43
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
PHF8 Q9UPP1 1/20 0.41
FAAH O00519 1/20 0.40
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40

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
SCHEMBL9422721 1.00 NPC1 (0.51) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL944433 0.98 ALDH1A1 (0.49) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL228277 0.91 ALDH1A1 (0.43) NPC1RAB9APAX8JAK2ALDH1A1
SCHEMBL28245199 0.83 EPHX2 (0.53) ALDH1A1EPHX2DNM1SIGMAR1KDM5A
SCHEMBL28238363 0.83 EPHX2 (0.53) ALDH1A1EPHX2DNM1SIGMAR1KDM5A
SCHEMBL4885883 0.83 EPHX2 (0.62) ALDH1A1EPHX2DNM1SIGMAR1KDM5A
SCHEMBL2182224 0.83 EPHX2 (0.53) ALDH1A1EPHX2DNM1SIGMAR1KDM5A
SCHEMBL18760168 0.83 EPHX2 (0.53) ALDH1A1EPHX2DNM1SIGMAR1KDM5A
SCHEMBL17817233 0.83 EPHX2 (0.53) ALDH1A1EPHX2DNM1SIGMAR1KDM5A
SCHEMBL8861106 0.83 EPHX2 (0.53) ALDH1A1EPHX2DNM1SIGMAR1KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609898-B2 Separation reagent of platinum group metal, method for separating and recovering platinum group metal, and amide-containing tertiary amine compound NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2013-12-17 US disclosed
US-20110113927-A1 SEPARATION REAGENT OF PLATINUM GROUP METAL, METHOD FOR SEPARATING AND RECOVERING PLATINUM GROUP METAL, AND AMIDE-CONTAINING TERTIARY AMINE COMPOUND NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2011-05-19 US disclosed
US-20100095807-A1 SEPARATION REAGENT OF PLATINUM GROUP METAL, METHOD FOR SEPARATING AND RECOVERING PLATINUM GROUP METAL, AND AMIDE-CONTAINING TERTIARY AMINE COMPOUND NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2010-04-22 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-20100095807-A1 SEPARATION REAGENT OF PLATINUM GROUP METAL, METHOD FOR SEPARATING AND RECOVERING PLATINUM GROUP METAL, AND AMIDE-CONTAINING TERTIARY AMINE COMPOUND AOC1, HRH3, HRH2 NPC1 4283/4885RAB9A 918/4885PAX8 1926/4885

“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.