SCHEMBL2896277

SCHEMBL2896277

Ic1c(OCc2ccccc2)cccc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.64
MAPK1 P28482 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
HTR1A P08908 2/20 0.55
DRD2 P14416 1/20 0.55
MAPK14 Q16539 2/20 0.54
LIPE Q05469 1/20 0.53
APP P05067 5/20 0.52
LTA4H P09960 1/20 0.52
ALPG P10696 1/20 0.50
PTK2B Q14289 1/20 0.50
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
CCND1 P24385 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL20140075 0.88 MAPT (0.67) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL27406742 0.87 APP (0.62) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL30221868 0.87 MAPT (0.55) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL23883421 0.87 MAPT (0.55) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL20819530 0.87 MAPT (0.55) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL23294813 0.87 APP (0.62) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL29587072 0.87 APP (0.62) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL28327181 0.85 TDP1 (0.53) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL339812 0.84 MAPT (0.71) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL74678 0.83 MAPT (0.59) MAPTMAPK1TDP1L3MBTL1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106748604-B Method for synthesizing mono-iodo aromatic hydrocarbon or di-iodo aromatic hydrocarbon based on decarboxylation of aromatic carboxylic acid 湘潭大学 2020-06-05 CN claimed
CN-106748604-B Method for synthesizing mono-iodo aromatic hydrocarbon or di-iodo aromatic hydrocarbon based on decarboxylation of aromatic carboxylic acid 湘潭大学 2020-06-05 CN disclosed
US-7858646-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-12-28 US disclosed
EP-1817300-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2010-03-17 EP disclosed
US-7678794-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-03-16 US disclosed
EP-1817296-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-11-04 EP disclosed
US-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane ARRAY BIOPHARMA, INC. 2008-04-24 US disclosed
US-20080004321-A1 3-{[4-(4-acetyl-3-hydroxy-2-propylphenoxymethyl)-phenyl]-(S)-hydroxymethyl}-benzoic acid; anxiolytic, neuroleptic agent and antidepressant as glutamate receptor agonist; antiinflammatory agent as leukotriene receptor agonist; ELI LILLY AND COMPANY 2008-01-03 US disclosed
EP-1817296-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
EP-1817300-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
WO-2006057860-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed
WO-2006057869-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 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 (2 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-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane HTR7, UGT2B7, HK1 MAPT 1980/4885MAPK1 939/4885TDP1 4318/4885
US-20080004321-A1 3-{[4-(4-acetyl-3-hydroxy-2-propylphenoxymethyl)-phenyl]-(S)-hydroxymethyl}-benzoic acid; anxiolytic, neuroleptic agent and antidepressant as glutamate receptor agonist; antiinflammatory agent as leukotriene receptor agonist; LTB4R, LTB4R2, CYSLTR1 MAPT 3382/4885MAPK1 2048/4885TDP1 3864/4885

“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.