SCHEMBL6041863

SCHEMBL6041863

CCOC(=O)c1ccc2cc(OCOCC[Si](C)(C)C)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.46
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAOB P27338 3/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NPC1 O15118 1/20 0.42
NLRP3 Q96P20 1/20 0.42
TBXAS1 P24557 1/20 0.41
DHFR P00374 1/20 0.41

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
SCHEMBL4912817 0.90 TDP1 (0.52) TDP1L3MBTL1ALDH1A1MAPTCA12
SCHEMBL6043159 0.86 TDP1 (0.53) TDP1L3MBTL1ALDH1A1MAPTNPC1
SCHEMBL6041694 0.85 MAPT (0.48) TDP1L3MBTL1ALDH1A1MAPT
SCHEMBL1628995 0.81 HSD17B2 (0.46) TDP1L3MBTL1ALDH1A1NPSR1CA12
SCHEMBL1191191 0.81 TDP1 (0.65) TDP1L3MBTL1MAPTNPSR1MAOB
SCHEMBL4085075 0.80 CA12 (0.56) TDP1L3MBTL1ALDH1A1MAPTNPSR1
SCHEMBL2929211 0.78 MEN1 (0.48) L3MBTL1MAOB
SCHEMBL6041493 0.77 CDC25B (0.40) TDP1L3MBTL1ALDH1A1MAPTCA12
SCHEMBL10935339 0.77 TDP1 (0.59) TDP1L3MBTL1CA12CA1CA2
SCHEMBL707407 0.77 CA12 (0.67) ALDH1A1MAPTCA12CA1CA2

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 TDP1 1041/4885L3MBTL1 1516/4885ALDH1A1 2504/4885

“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.