SCHEMBL4873232

SCHEMBL4873232

C=CCOc1cc(OCOC)cc(C(=O)OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
BLM P54132 1/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KDM4E B2RXH2 2/20 0.38
KAT6A Q92794 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL20395893 0.92 MAPT (0.44) ADRB2ADRB1ADRB3BLMMAPT
Hydrogen Sulfide SCHEMBL20395882 0.91 MAPT (0.43) ADRB2ADRB1ADRB3BLMMAPT
SCHEMBL644117 0.89 MAPT (0.44) ADRB2ADRB1ADRB3BLMMAPT
SCHEMBL644523 0.88 CA1 (0.43) ADRB2ADRB1ADRB3BLMMAPT
SCHEMBL644054 0.87 CA1 (0.48) BLMMAPTPOLBSMN1; SMN2NPC1
SCHEMBL4868621 0.87 PLA2G2A (0.45) ADRB2ADRB1ADRB3MAPTPOLB
SCHEMBL3603971 0.85 CA1 (0.39) BLMMAPTPOLBSMN1; SMN2NPC1
SCHEMBL6243324 0.84 CA1 (0.48) MAPTPOLBRAB9AALDH1A1CA12
SCHEMBL2530033 0.84 ATM (0.41) ADRB2ADRB1ADRB3BLMMAPT
SCHEMBL4877619 0.84 NPC1 (0.41) ADRB2ADRB1ADRB3BLMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP ADRB2 840/4885ADRB1 1019/4885ADRB3 869/4885

“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.