SCHEMBL2129254

SCHEMBL2129254

CCCCCCCCOC(=O)C(C)c1cccc(CC(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGS2 P35354 1/20 0.43
CYSLTR2 Q9NS75 3/20 0.42
CYSLTR1 Q9Y271 3/20 0.42

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
SCHEMBL1220467 0.89 PTGS2 (0.42) PTGS2
SCHEMBL2129263 0.84 PTGS2 (0.59) TSHRLMNAPTGS2
SCHEMBL9523336 0.84 PTGS2 (0.59) TSHRLMNAPTGS2
SCHEMBL25812372 0.83 PTGS1 (0.44) TSHRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11255781 0.83 TSHR (0.47) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL28860806 0.82 EPHX2 (0.49) TSHRALDH1A1LMNA
SCHEMBL2294696 0.81 NPC1 (0.58) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL2294971 0.81 NPC1 (0.58) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL11699142 0.81 NPC1 (0.58) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL9340799 0.81 NPC1 (0.58) TSHRALDH1A1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638505-B1 AMPHIPHILIC PYRIDINIUM COMPOUNDS, METHOD OF MAKING AND USE THEREOF JACKSON H M FOUND MILITARY MED (US) 2012-04-25 EP claimed
EP-1638505-A4 AMPHIPHILIC PYRIDINIUM COMPOUNDS, METHOD OF MAKING AND USE THEREOF JACKSON H M FOUND MILITARY MED (US) 2009-01-07 EP claimed
US-20070105916-A1 Amphiphilic pyridinium compounds, method of making and use thereof THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. 2007-05-10 US claimed
EP-1638505-A2 AMPHIPHILIC PYRIDINIUM COMPOUNDS, METHOD OF MAKING AND USE THEREOF HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. (US) 2006-03-29 EP claimed
WO-2005002519-A2 AMPHIPHILIC PYRIDINIUM COMPOUNDS, METHOD OF MAKING AND USE THEREOF HENRY M.JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. (US) 2005-01-13 WO claimed
EP-1638505-A4 AMPHIPHILIC PYRIDINIUM COMPOUNDS, METHOD OF MAKING AND USE THEREOF JACKSON H M FOUND MILITARY MED (US) 2009-01-07 EP disclosed
EP-1638505-A2 AMPHIPHILIC PYRIDINIUM COMPOUNDS, METHOD OF MAKING AND USE THEREOF HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. (US) 2006-03-29 EP disclosed
WO-2005002519-A2 AMPHIPHILIC PYRIDINIUM COMPOUNDS, METHOD OF MAKING AND USE THEREOF HENRY M.JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. (US) 2005-01-13 WO 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-20070105916-A1 Amphiphilic pyridinium compounds, method of making and use thereof CXCL8, IL18, CCR8 TSHR 3290/4885ALDH1A1 2628/4885LMNA 2775/4885

“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.