SCHEMBL6042465

SCHEMBL6042465

COC(=O)c1ccc(C2C(O)CNCC2CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 3/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
ATM Q13315 2/20 0.42
GLA P06280 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
CYP4A11 Q02928 1/20 0.38
GBA1 P04062 4/20 0.38
PYGL P06737 1/20 0.38
GBA2 Q9HCG7 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
SCHEMBL6955872 0.83 GBA1 (0.43) GAATSHRGBA1PYGLGBA2
SCHEMBL2684014 0.77 GBA1 (0.47) GAAGBA1PYGLGBA2GLB1
SCHEMBL6958961 0.77 GBA1 (0.47) GAAGBA1PYGLGBA2GLB1
SCHEMBL6042971 0.76 ALDH1A1 (0.39) KDM4EALDH1A1GAAHSD17B10HPGD
Bromide SCHEMBL5282167 0.76 GBA1 (0.46) GAAGBA1PYGLGBA2GLB1
SCHEMBL6042903 0.76 GBA1 (0.46) GAAGBA1PYGLGBA2GLB1
Bromide SCHEMBL1941630 0.76 GBA1 (0.46) GAAGBA1PYGLGBA2GLB1
SCHEMBL5280813 0.74 KDM4E (0.39) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL15239841 0.74 KDM4E (0.53) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL16142366 0.73 CA1 (0.61) KDM4EALDH1A1GAAHSD17B10HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 KDM4E 2501/4885ALDH1A1 2504/4885GAA 37/4885

“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.