SCHEMBL12155260

SCHEMBL12155260

C/N=C(\C)CNCCCCCC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PAOX Q6QHF9 7/20 0.55
▸ ALDH1A1 P00352 1/20 0.37
▸ MAOA P21397 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ ACHE P22303 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SLC15A2 Q16348 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL9414550 0.82 PAOX (0.64) PAOXALDH1A1MAOAMAOBADRA1A
SCHEMBL16727725 0.80 PAOX (0.79) PAOXALDH1A1ADRA1AKDM4EMAPK1
SCHEMBL7922962 0.79 PAOX (0.60) PAOXALDH1A1ADRA1ALMNASLC15A2
SCHEMBL12974337 0.77 PAOX (0.46) PAOXMAOAMAOBHDAC6
SCHEMBL12292278 0.77 PAOX (0.58) PAOXALDH1A1MAOAMAOBADRA1A
SCHEMBL12292305 0.77 PAOX (0.58) PAOXALDH1A1MAOAMAOBADRA1A
SCHEMBL7885797 0.76 PAOX (0.56) PAOXALDH1A1MAOAMAOBADRA1A
SCHEMBL12409524 0.75 PAOX (0.44) PAOXMAOAMAOBHDAC6
SCHEMBL12292303 0.75 PAOX (0.44) PAOXMAOAMAOBHDAC6
SCHEMBL12155256 0.75 PAOX (0.44) PAOXMAOAMAOBHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371350-B2 Trehalose derivatives and pharmaceutical compositions for treating neurodegenerative diseases POSTECH FOUNDATION (KR) 2016-06-21 — — US disclosed
US-20150025035-A1 INOSITOL AND TREHALOSE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES COMPRISING THE SAME POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2015-01-22 — — US disclosed
US-8048996-B2 Molecular transporters based on sugar and its analogues and processes for the preparation thereof POSTECH FOUNDATION (KR) 2011-11-01 — — US disclosed
US-20110224423-A1 INOSITOL AND TREHALOSE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES COMPRISING THE SAME POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2011-09-15 — — US disclosed
US-7973084-B2 High permeability through plasma membrane, nuclear membrane and blood-brain barrier; for delivering doxorubicin and paclitaxel to target cells; gene therapy POSTECH ACADEMY-INDUSTRIAL FOUNDATION (KR) 2011-07-05 — — US disclosed
US-20100330608-A1 MOLECULAR TRANSPORTERS BASED ON SUGAR AND ITS ANALOGUES AND PROCESSES FOR THE PREPARATION THEREOF POSTECH FOUNDATION (KR) 2010-12-30 — — 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 (3 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-20110224423-A1 INOSITOL AND TREHALOSE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES COMPRISING THE SAME HTT, TREH, ITPA PAOX 3568/4885ALDH1A1 2541/4885MAOA 2060/4885
US-20100330608-A1 MOLECULAR TRANSPORTERS BASED ON SUGAR AND ITS ANALOGUES AND PROCESSES FOR THE PREPARATION THEREOF SLC2A1, SLC2A8, SLC2A2 PAOX 1538/4885ALDH1A1 3245/4885MAOA 4440/4885
US-20150025035-A1 INOSITOL AND TREHALOSE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES COMPRISING THE SAME HTT, TREH, ITPA PAOX 3568/4885ALDH1A1 2541/4885MAOA 2060/4885

“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.

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