SCHEMBL4879634

SCHEMBL4879634

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
FFAR1 O14842 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
POLB P06746 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PLA2G2A P14555 1/20 0.41
PKM P14618 2/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
BRD4 O60885 1/20 0.38
BRD2 P25440 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
SCHEMBL4876609 0.87 RAB9A (0.45) KDM4ENPC1RAB9AFFAR1SMN1; SMN2
SCHEMBL4875441 0.86 RAB9A (0.48) KDM4ENPC1RAB9AFFAR1SMN1; SMN2
SCHEMBL4873192 0.83 ALDH1A1 (0.51) KDM4ENPC1RAB9AFFAR1MAPT
SCHEMBL20838307 0.81 MEN1 (0.51) KDM4ENPC1RAB9AFFAR1SMN1; SMN2
SCHEMBL644797 0.81 FFAR1 (0.49) KDM4ENPC1RAB9AFFAR1SMN1; SMN2
SCHEMBL4873239 0.81 KDM4E (0.45) KDM4ENPC1RAB9AFFAR1SMN1; SMN2
SCHEMBL6155465 0.79 MRGPRX4 (0.46) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL4879840 0.78 MEN1 (0.46) KDM4ENPC1RAB9AFFAR1SMN1; SMN2
SCHEMBL4879486 0.78 GPBAR1 (0.51) KDM4ENPC1RAB9AFFAR1POLB
SCHEMBL4874108 0.78 CYP2C9 (0.50) KDM4ENPC1RAB9AFFAR1SMN1; SMN2

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 KDM4E 3337/4885NPC1 41/4885RAB9A 2224/4885

“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.