SCHEMBL12397941

SCHEMBL12397941

C[C@@H]1CC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 1/20 0.32

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
SCHEMBL13236680 1.00 BUB1 (0.32) BUB1
SCHEMBL9281239 0.89 BUB1 (0.34) BUB1
SCHEMBL3179253 0.89 BUB1 (0.34) BUB1
SCHEMBL8536413 0.89 BUB1 (0.34) BUB1
SCHEMBL1799927 0.85 BUB1 (0.36) BUB1
SCHEMBL4606908 0.81 PPM1D (0.33) BUB1
SCHEMBL4606548 0.81 PPM1D (0.33) BUB1
SCHEMBL18378218 0.81 BUB1 (0.32) BUB1
SCHEMBL4645059 0.81 PPM1D (0.33) BUB1
SCHEMBL11313059 0.79 BUB1 (0.31) BUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180117156-A1 1-DEOXY ANALOGS OF VITAMIN D-RELATED COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-05-03 — — US disclosed
US-9775903-B2 1-deoxy analogs of 1,25-dihydroxyvitamin D3 compounds JOHNS HOPKINS UNIVERSITY (US) 2017-10-03 — — US disclosed
US-9212136-B2 Methods for producing paricalcitol AZAD PHARMACEUTICALS INGREDIENTS AG (CH) 2015-12-15 — — US disclosed
US-20130157987-A1 1-DEOXY ANALOGS OF 1,25-DIHYDROXYVITAMIN D3 COMPOUNDS JOHNS HOPKINS UNIVERSITY (US) 2013-06-20 — — US disclosed
US-20110184199-A1 Methods For Producing Paricalcitol AZAD PHARMA AG (CH) 2011-07-28 — — US disclosed
US-20100016435-A1 HYBRID MOLECULES HAVING MIXED VITAMIN D RECEPTOR AGONISM AND HISTONE DEACETYLASE INHIBITORY PROPERTIES MCGILL UNIVERSITY (CA) 2010-01-21 — — 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 (4 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-20130157987-A1 1-DEOXY ANALOGS OF 1,25-DIHYDROXYVITAMIN D3 COMPOUNDS CYP24A1, CYP2R1, CYP27B1 BUB1 2863/4885
US-20100016435-A1 HYBRID MOLECULES HAVING MIXED VITAMIN D RECEPTOR AGONISM AND HISTONE DEACETYLASE INHIBITORY PROPERTIES VDR, HDAC3, HDAC4 BUB1 4176/4885
US-20180117156-A1 1-DEOXY ANALOGS OF VITAMIN D-RELATED COMPOUNDS CYP24A1, CYP2R1, VDR BUB1 2969/4885
US-20110184199-A1 Methods For Producing Paricalcitol CYP2R1, PTH1R, CYP24A1 BUB1 2891/4885

“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.

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