SCHEMBL1143680

SCHEMBL1143680

CCOc1ccc(-c2coc3ccc(Br)cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GSK3B P49841 5/20 0.45
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
LSS P48449 3/20 0.43
TP53 P04637 2/20 0.43
MTNR1A P48039 1/20 0.40
PIN1 Q13526 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
NQO1 P15559 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
PDK1 Q15118 1/20 0.39

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
SCHEMBL1143870 0.84 GSK3B (0.61) MAOAMAOBMAPTMEN1KMT2A
SCHEMBL13464654 0.83 ALDH2 (0.49) ALDH2MAOAMAOBMAPTMEN1
SCHEMBL12292945 0.81 MEN1 (0.43) MAPTMEN1KMT2ASMN1; SMN2GSK3B
SCHEMBL19781538 0.81 ALDH2 (0.49) ALDH2MAOAMAOBMAPTMEN1
SCHEMBL3411823 0.77 SMN1; SMN2 (0.44) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11428068 0.76 NPC1 (0.52) MAPTMEN1KMT2ASMN1; SMN2GSK3B
SCHEMBL10762254 0.73 MAOB (0.47) MAOBMEN1KMT2AGSK3BPOLB
SCHEMBL27901075 0.72 NQO1 (0.45) MAOBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29893480 0.72 FFAR4 (0.56) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11422111 0.71 POLB (0.44) ALDH2MAOAMAOBMAPTMEN1

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
US-8399509-B2 Glucopyranoside derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-19 US disclosed
US-8399509-B2 Glucopyranoside derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-19 US disclosed
US-8399509-B2 Glucopyranoside derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-19 US disclosed
EP-2260051-B1 GLUCOPYRANOSIDE DERIVATIVES MERCK PATENT GMBH (DE) 2012-10-17 EP disclosed
US-20110028414-A1 GLUCOPYRANOSIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-02-03 US disclosed
US-20110028414-A1 GLUCOPYRANOSIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-02-03 US disclosed
US-20110028414-A1 GLUCOPYRANOSIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-02-03 US disclosed
EP-2260051-A1 GLUCOPYRANOSIDE DERIVATIVES Merck Patent GmbH (DE) 2010-12-15 EP disclosed
WO-2009124638-A1 GLUCOPYRANOSIDE DERIVATIVES MERCK PATENT GMBH (DE) 2009-10-15 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-20110028414-A1 GLUCOPYRANOSIDE DERIVATIVES UGGT1, SLC5A1, SLC5A2 ALDH2 1320/4885MAOA 4171/4885MAOB 3917/4885

“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.