SCHEMBL12657487

SCHEMBL12657487

CC(=O)CCC1C(=O)CCCC1=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
PTPN1 P18031 1/20 0.35
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TLR4 O00206 3/20 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
SCHEMBL12861148 0.87 ALDH1A1 (0.36) ALDH1A1MAPTL3MBTL1GAANPC1
SCHEMBL1004976 0.78 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1GAATLR4
SCHEMBL2431325 0.76 NPC1 (0.58) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL7910636 0.75 NPC1 (0.59) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL8393094 0.73 TP53 (0.39) ALDH1A1MAPTL3MBTL1GAA
SCHEMBL9122284 0.71 PTPN1 (0.39) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL12417561 0.70 ALDH1A1 (0.39) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL11388147 0.69 ALDH1A1 (0.37) ALDH1A1MAPTL3MBTL1GAA
SCHEMBL1401961 0.68 ALDH1A1 (0.34) ALDH1A1MAPTL3MBTL1GAA
SCHEMBL8076491 0.68 TP53 (0.47) ALDH1A1MAPTL3MBTL1GAAHPGD

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
EP-2319621-A2 Base stable ionic liquids The Queen's University of Belfast (GB) 2011-05-11 EP disclosed
EP-2286915-A2 IONIC LIQUIDS WITH A CATION COMPRISING A BASIC MOIETY The Queen's University of Belfast (GB) 2011-02-23 EP disclosed
US-20090270248-A1 Basic ionic liquids THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2009-10-29 US disclosed
US-20090270248-A1 Basic ionic liquids THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2009-10-29 US disclosed
US-20090216015-A1 Base Stable Ionic Liquids THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2009-08-27 US disclosed
US-20090216015-A1 Base Stable Ionic Liquids THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2009-08-27 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-20090216015-A1 Base Stable Ionic Liquids BRAF, TIAL1, HPRT1 ALDH1A1 2477/4885MAPT 1496/4885L3MBTL1 1426/4885

“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.