SCHEMBL4872668

SCHEMBL4872668

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FFAR1 O14842 1/20 0.42
KDM4E B2RXH2 6/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
HSD17B10 Q99714 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
TTR P02766 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 3/20 0.39
TSHR P16473 2/20 0.38
POLB P06746 2/20 0.38
PKM P14618 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
SCHEMBL20838307 0.89 MEN1 (0.51) PLA2G2AMEN1KMT2AFFAR1KDM4E
SCHEMBL644797 0.85 FFAR1 (0.49) PLA2G2AMEN1KMT2AFFAR1KDM4E
SCHEMBL2529384 0.85 KDM4E (0.47) PLA2G2AMEN1KMT2AFFAR1KDM4E
SCHEMBL4878837 0.84 PLA2G2A (0.47) PLA2G2AMEN1KMT2AFFAR1KDM4E
SCHEMBL2526307 0.84 FFAR1 (0.44) PLA2G2AMEN1KMT2AFFAR1KDM4E
SCHEMBL4871580 0.84 PLA2G2A (0.42) PLA2G2AMEN1KMT2AFFAR1KDM4E
SCHEMBL4868621 0.82 PLA2G2A (0.45) PLA2G2AMEN1KMT2AFFAR1KDM4E
SCHEMBL417129 0.82 HSD17B10 (0.57) PLA2G2AMEN1KMT2AKDM4ERAB9A
SCHEMBL4879486 0.80 GPBAR1 (0.51) PLA2G2AMEN1KMT2AFFAR1KDM4E
SCHEMBL4873239 0.79 KDM4E (0.45) PLA2G2AMEN1KMT2AFFAR1KDM4E

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 PLA2G2A 4230/4885MEN1 306/4885KMT2A 3447/4885

“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.