SCHEMBL6042498

SCHEMBL6042498

CCOC(=O)/C=C/c1ccc(C2CCN(C(=O)O)CC2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.44
GAA P10253 2/20 0.43
TTR P02766 1/20 0.43
DPP4 P27487 1/20 0.43
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ESR1 P03372 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL6042502 1.00 L3MBTL1 (0.49) L3MBTL1CA12CA1CA2CA7
SCHEMBL7084816 0.85 CA12 (0.46) L3MBTL1CA12CA1CA2CA7
SCHEMBL6042500 0.79 CYP4F2 (0.47) L3MBTL1NPC1CYP3A4ALDH1A1MEN1
SCHEMBL7082513 0.79 CA12 (0.42) L3MBTL1CA12CA1CA2CA7
SCHEMBL4222379 0.78 L3MBTL1 (0.49) L3MBTL1CA12CA1CA2CA7
SCHEMBL4222385 0.78 L3MBTL1 (0.49) L3MBTL1CA12CA1CA2CA7
Bicarbonate SCHEMBL7548037 0.78 CA12 (0.50) L3MBTL1CA12CA1CA2CA7
SCHEMBL6042541 0.77 REN (0.47) L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6042545 0.77 REN (0.47) L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6042361 0.77 NPC1 (0.48) NPC1RAB9ASMN1; SMN2HTTALDH1A1

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
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP 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 L3MBTL1 1516/4885CA12 2820/4885CA1 124/4885

“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.