SCHEMBL4877310

SCHEMBL4877310

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
UNG P13051 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.40
PLA2G2A P14555 1/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37
DUSP26 Q9BV47 1/20 0.37
POLB P06746 2/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KAT6A Q92794 1/20 0.36

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
SCHEMBL644797 0.87 FFAR1 (0.49) FFAR1KDM4ENPC1RAB9AMEN1
SCHEMBL20838307 0.87 MEN1 (0.51) FFAR1KDM4ENPC1RAB9AMEN1
SCHEMBL2531150 0.84 ALDH1A1 (0.45) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL663655 0.83 CA12 (0.42) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL13836564 0.83 CA12 (0.42) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL4879486 0.81 GPBAR1 (0.51) FFAR1KDM4ENPC1RAB9AMEN1
SCHEMBL4880394 0.79 FFAR1 (0.44) FFAR1KDM4ENPC1RAB9AMEN1
SCHEMBL2526307 0.79 FFAR1 (0.44) FFAR1KDM4ENPC1RAB9AMEN1
SCHEMBL4878837 0.79 PLA2G2A (0.47) FFAR1KDM4ENPC1RAB9AMEN1
SCHEMBL18311238 0.79 KAT6A (0.52) FFAR1KDM4ENPC1RAB9AMEN1

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 FFAR1 1949/4885KDM4E 3337/4885NPC1 41/4885

“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.