SCHEMBL6041493

SCHEMBL6041493

CCOC(=O)c1cc(OCOCC[Si](C)(C)C)c2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 4/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
APAF1 O14727 1/20 0.40
CASP3 P42574 1/20 0.40
CASP6 P55212 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
RAB9A P51151 3/20 0.39
HCRTR1 O43613 2/20 0.39

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
SCHEMBL2927151 0.87 CA12 (0.40) KDM4EKMT2AMAPK1CA12CA1
SCHEMBL2929211 0.84 MEN1 (0.48) KMT2AL3MBTL1MEN1GABRA1GABRG2
SCHEMBL1628995 0.80 HSD17B2 (0.46) NPC1KDM4EL3MBTL1CA12CA1
SCHEMBL29344208 0.80 CYP1A2 (0.40) NPC1KDM4EMAPK1MAPTSMN1; SMN2
SCHEMBL4421534 0.79 PPARA (0.41) CDC25BKDM4EALDH1A1
SCHEMBL4423987 0.78 NQO2 (0.39) NPC1KDM4EKMT2AMAPTALDH1A1
SCHEMBL13131925 0.78 CDC25B (0.44) CDC25BNPC1KDM4EKMT2AMAPK1
SCHEMBL6041863 0.77 TDP1 (0.49) NPC1L3MBTL1CA12CA1CA2
SCHEMBL6042807 0.76 ALOX15 (0.44) NPC1KDM4EMAPK1L3MBTL1RAB9A
SCHEMBL2809626 0.76 MRGPRX4 (0.51) CDC25BNPC1KMT2ACA12CA1

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 CDC25B 2903/4885NPC1 418/4885KDM4E 2501/4885

“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.