SCHEMBL6041394

SCHEMBL6041394

CCOC(=O)c1ccc2ccc(O)cc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.66
CA1 P00915 5/20 0.66
CA2 P00918 5/20 0.66
CA7 P43166 5/20 0.66
CA9 Q16790 5/20 0.66
CA14 Q9ULX7 5/20 0.66
ESR1 P03372 3/20 0.66
ESR2 Q92731 1/20 0.66
HSD17B2 P37059 1/20 0.54
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
MAOA P21397 2/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTPN11 Q06124 1/20 0.50
MIF P14174 1/20 0.50
PFKFB3 Q16875 1/20 0.50
MAOB P27338 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL2128648 0.95 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL1960994 0.91 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL9979785 0.86 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL707407 0.86 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL15704203 0.85 CYP2A6 (0.61) CA12CA1CA2CA7CA9
SCHEMBL571295 0.83 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL30684671 0.83 CA12 (0.59) CA12CA1CA2CA7CA9
Ethyl Benzoate SCHEMBL27828026 0.83 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL5599708 0.82 ESR1 (0.70) CA12CA1CA2CA7CA9
SCHEMBL28817665 0.82 MAPT (0.54) CA12CA1CA2CA7CA9

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 8 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
EP-0061800-B1 ANTI SRS-A CARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM FISONS plc (GB) 1985-08-28 EP disclosed
US-4518612-A Naphthalene and 2-oxo-benzopyran acids and derivatives and pharamaceutical use thereof FISONS PLC (GB) 1985-05-21 US disclosed
US-4424231-A Compounds FISONS LIMITED (GB) 1984-01-03 US disclosed
EP-0061800-A1 Anti SRS-A carboxylic acid derivatives, processes for their production and pharmaceutical formulations containing them FISONS plc (GB) 1982-10-06 EP 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 CA12 2820/4885CA1 124/4885CA2 1585/4885

“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.