SCHEMBL5509916

SCHEMBL5509916

CC(C)C(CC(C)(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.35
SLC7A5 Q01650 2/20 0.35
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
GABRR1 P24046 2/20 0.31
RNPEP Q9H4A4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
CYP1A2 P05177 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
SCHEMBL5512967 1.00 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL19690438 0.87 TDP1 (0.41) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL10065566 0.83 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL27415651 0.81 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL5514482 0.81 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL25143817 0.81 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1TDP1SLC7A5
SCHEMBL20239746 0.81 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL16938119 0.80 SLC1A3 (0.32) SLC1A3SLC1A2SLC1A1TDP1ALDH1A1
SCHEMBL14679292 0.79 ACE (0.40) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL380595 0.78 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2696245-B1 CONDUCTIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC DEVICE CANON KK (JP) 2015-08-19 EP disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
EP-2450746-A1 Positive resist composition and pattern forming method using the composition Fujifilm Corporation (JP) 2012-05-09 EP disclosed
EP-2090627-B1 Ink composition, ink set and image forming method FUJIFILM CORP (JP) 2011-08-10 EP disclosed
EP-1787964-A2 Surface antifogging, antisoiling, tempered glass and method for producing the same Fujifilm Corporation (JP) 2007-05-23 EP 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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 SLC1A3 2431/4885SLC1A2 2468/4885SLC1A1 1864/4885

“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.