SCHEMBL4879486

SCHEMBL4879486

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.51
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FFAR1 O14842 1/20 0.45
SLC5A1 P13866 1/20 0.45
SLC5A2 P31639 1/20 0.45
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KAT6A Q92794 3/20 0.42
HCAR1 Q9BXC0 3/20 0.42
PLA2G2A P14555 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL20838307 0.90 MEN1 (0.51) GPBAR1CA12CA1CA2CA7
SCHEMBL644797 0.90 FFAR1 (0.49) GPBAR1CA12CA1CA2CA7
SCHEMBL642424 0.83 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL4880394 0.82 FFAR1 (0.44) GPBAR1MEN1KMT2AFFAR1SLC5A1
SCHEMBL2526307 0.82 FFAR1 (0.44) MEN1KMT2AFFAR1KDM4ENPC1
SCHEMBL4878837 0.82 PLA2G2A (0.47) CA1CA2MEN1KMT2AFFAR1
SCHEMBL18311238 0.82 KAT6A (0.52) MEN1KMT2AFFAR1KDM4ENPC1
SCHEMBL18984966 0.82 SLC5A1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL16015475 0.82 SLC5A1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL17414594 0.81 KAT6A (0.47) SLC5A1SLC5A2KDM4ENPC1RAB9A

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 GPBAR1 291/4885CA12 500/4885CA1 151/4885

“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.