SCHEMBL10041425

SCHEMBL10041425

C[C@H](CO)C1CCC2[C@@H](O)CCC[C@]12C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 6/20 0.69
▸ CDC25B P30305 4/20 0.69
▸ DHCR24 Q15392 2/20 0.46
▸ GPBAR1 Q8TDU6 7/20 0.43
▸ SRD5A2 P31213 1/20 0.43
▸ NR1H4 Q96RI1 3/20 0.42
▸ AKR1B10 O60218 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ EFNA1 P20827 1/20 0.39
▸ EPHA2 P29317 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 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
SCHEMBL3168563 1.00 CDC25A (0.69) CDC25ACDC25BDHCR24GPBAR1SRD5A2
SCHEMBL14107818 1.00 CDC25A (0.69) CDC25ACDC25BDHCR24GPBAR1SRD5A2
SCHEMBL6695435 1.00 CDC25A (0.69) CDC25ACDC25BDHCR24GPBAR1SRD5A2
SCHEMBL13392550 1.00 CDC25A (0.69) CDC25ACDC25BDHCR24GPBAR1SRD5A2
SCHEMBL10125283 1.00 CDC25A (0.69) CDC25ACDC25BDHCR24GPBAR1SRD5A2
SCHEMBL2609728 1.00 CDC25A (0.69) CDC25ACDC25BDHCR24GPBAR1SRD5A2
SCHEMBL10125341 1.00 CDC25A (0.69) CDC25ACDC25BDHCR24GPBAR1SRD5A2
SCHEMBL12288852 1.00 CDC25A (0.69) CDC25ACDC25BDHCR24GPBAR1SRD5A2
SCHEMBL15494063 1.00 CDC25A (0.69) CDC25ACDC25BDHCR24GPBAR1SRD5A2
SCHEMBL2678324 1.00 CDC25A (0.69) CDC25ACDC25BDHCR24GPBAR1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9775903-B2 1-deoxy analogs of 1,25-dihydroxyvitamin D3 compounds JOHNS HOPKINS UNIVERSITY (US) 2017-10-03 — — US disclosed
EP-2556054-B1 DIASTEREOMERS OF 2-METHYLENE-19-NOR-22-METHYL-1ALPHA,25-DIHYDROXYVITAMIN D3 WISCONSIN ALUMNI RES FOUND (US) 2017-09-27 — — EP disclosed
EP-2556053-B1 (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 RES FOUND (US) 2015-07-29 — — EP 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-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-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-20110237557-A1 DIASTEREOMERS OF 2-METHYLENE-19-NOR-22-METHYL-1ALPHA,25-DIHYDROXYVITAMIN D3 WISCONSIN ALUMNI RESEARCH FOUNDATION 2011-09-29 — — 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
WO-2011119610-A2 (20S)-2-METHYLENE-19-NOR-22-DIMETHYL-1α,25- DIHYDROXYVITAMIN D3 AND (20R)-2-METHYLENE-19-NOR-22- DIMETHYL-1α,25-HYDROXYVITAMIN D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-09-29 — — WO 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-7208484-B2 Method of synthesizing 1alpha-hydroxy-2-methylene-19-nor-homopregnacalciferol WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-04-24 — — US disclosed
US-7208484-B2 Method of synthesizing 1alpha-hydroxy-2-methylene-19-nor-homopregnacalciferol WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-04-24 — — 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-20120165300-A1 DIASTEREOMERS OF 2-METHYLENE-19-NOR-22-METHYL-1ALPHA,25-DIHYDROXYVITAMIN D3 CYP24A1, CYP2R1, CYP27B1 CDC25A 1007/4885CDC25B 965/4885DHCR24 25/4885
US-20130157987-A1 1-DEOXY ANALOGS OF 1,25-DIHYDROXYVITAMIN D3 COMPOUNDS CYP24A1, CYP2R1, CYP27B1 CDC25A 231/4885CDC25B 495/4885DHCR24 46/4885
US-20110237557-A1 DIASTEREOMERS OF 2-METHYLENE-19-NOR-22-METHYL-1ALPHA,25-DIHYDROXYVITAMIN D3 CYP24A1, CYP2R1, CYP27B1 CDC25A 1007/4885CDC25B 965/4885DHCR24 25/4885
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 CDC25A 1132/4885CDC25B 906/4885DHCR24 15/4885

“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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