SCHEMBL4875441

SCHEMBL4875441

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 4/20 0.48
NPC1 O15118 3/20 0.48
FFAR1 O14842 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PLA2G2A P14555 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MRGPRX4 Q96LA9 3/20 0.39
PKM P14618 2/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 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
SCHEMBL4876609 0.89 RAB9A (0.45) RAB9AKDM4ENPC1FFAR1MEN1
SCHEMBL2528357 0.87 NPC1 (0.42) RAB9AKDM4ENPC1FFAR1SMN1; SMN2
SCHEMBL4879634 0.86 KDM4E (0.46) RAB9AKDM4ENPC1FFAR1MEN1
SCHEMBL20838307 0.83 MEN1 (0.51) RAB9AKDM4ENPC1FFAR1MEN1
SCHEMBL644797 0.83 FFAR1 (0.49) RAB9AKDM4ENPC1FFAR1MEN1
SCHEMBL4873239 0.83 KDM4E (0.45) RAB9AKDM4ENPC1FFAR1MEN1
SCHEMBL4868621 0.82 PLA2G2A (0.45) RAB9AKDM4ENPC1FFAR1MEN1
SCHEMBL4878837 0.82 PLA2G2A (0.47) RAB9AKDM4ENPC1FFAR1MEN1
SCHEMBL4879840 0.81 MEN1 (0.46) RAB9AKDM4ENPC1FFAR1MEN1
SCHEMBL4879486 0.80 GPBAR1 (0.51) RAB9AKDM4ENPC1FFAR1MEN1

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 RAB9A 2224/4885KDM4E 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.