SCHEMBL10041397

SCHEMBL10041397

C[C@@H]1C[C@@](C)(O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PPM1D O15297 3/20 0.33

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
SCHEMBL12397939 0.80 PPM1D (0.34) PPM1D
SCHEMBL13759527 0.77 MMP2 (0.35)
SCHEMBL23704804 0.73 PPM1D (0.37) PPM1D
SCHEMBL8903439 0.72 PPM1D (0.36) PPM1D
SCHEMBL8540123 0.72 PPM1D (0.36) PPM1D
SCHEMBL3177924 0.71 PPM1D (0.37) PPM1D
SCHEMBL12397951 0.71
SCHEMBL30838808 0.70
SCHEMBL14208314 0.70 FUCA1 (0.41)
SCHEMBL8901744 0.69 PPM1D (0.38) PPM1D

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 11 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-8664206-B2 Diastereomers of 2-methylene-19-nor-22-methyl-1α,25-dihydroxyvitamin D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-03-04 US disclosed
US-20130157987-A1 1-DEOXY ANALOGS OF 1,25-DIHYDROXYVITAMIN D3 COMPOUNDS JOHNS HOPKINS UNIVERSITY (US) 2013-06-20 US disclosed
US-20120165300-A1 DIASTEREOMERS OF 2-METHYLENE-19-NOR-22-METHYL-1ALPHA,25-DIHYDROXYVITAMIN D3 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-28 US disclosed
US-8030295-B2 19,26,27-trinor-1α,25-dihydroxyvitamin D3 compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-10-04 US disclosed
US-20110237557-A1 DIASTEREOMERS OF 2-METHYLENE-19-NOR-22-METHYL-1ALPHA,25-DIHYDROXYVITAMIN D3 WISCONSIN ALUMNI RESEARCH FOUNDATION 2011-09-29 US disclosed
US-20110237556-A1 (20S)-2-METHYLENE-19-NOR-22-DIMETHYL-1alpha,25-DIHYDROXYVITAMIN D3 AND (20R)-2-METHYLENE-19-NOR-22-DIMETHYL-1alpha,25-HYDROXYVITAMIN D3 WISCONSIN ALUMNI RESEARCH FOUNDATION 2011-09-29 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 (7 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-20120165300-A1 DIASTEREOMERS OF 2-METHYLENE-19-NOR-22-METHYL-1ALPHA,25-DIHYDROXYVITAMIN D3 CYP24A1, CYP2R1, CYP27B1 PPM1D 1445/4885
US-20130157987-A1 1-DEOXY ANALOGS OF 1,25-DIHYDROXYVITAMIN D3 COMPOUNDS CYP24A1, CYP2R1, CYP27B1 PPM1D 526/4885
US-20110237557-A1 DIASTEREOMERS OF 2-METHYLENE-19-NOR-22-METHYL-1ALPHA,25-DIHYDROXYVITAMIN D3 CYP24A1, CYP2R1, CYP27B1 PPM1D 1445/4885
US-20100016435-A1 HYBRID MOLECULES HAVING MIXED VITAMIN D RECEPTOR AGONISM AND HISTONE DEACETYLASE INHIBITORY PROPERTIES VDR, HDAC3, HDAC4 PPM1D 4081/4885
US-20180117156-A1 1-DEOXY ANALOGS OF VITAMIN D-RELATED COMPOUNDS CYP24A1, CYP2R1, VDR PPM1D 542/4885
US-20110184199-A1 Methods For Producing Paricalcitol CYP2R1, PTH1R, CYP24A1 PPM1D 2728/4885
US-20110237556-A1 (20S)-2-METHYLENE-19-NOR-22-DIMETHYL-1alpha,25-DIHYDROXYVITAMIN D3 AND (20R)-2-METHYLENE-19-NOR-22-DIMETHYL-1alpha,25-HYDROXYVITAMIN D3 CYP24A1, CYP27B1, CYP2R1 PPM1D 2436/4885

“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.