SCHEMBL3168563

SCHEMBL3168563

CC(CO)C1CCC2C(O)CCCC12C

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
SCHEMBL10041425 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8301811-A — — None — — JP disclosed
EP-2419403-B1 VITAMIN D RECEPTOR AGONISTS AND USES THEREOF VIDASYM INC (US) 2016-09-07 — — EP disclosed
US-20120115824-A1 Vitamin D Receptor Agonists and Uses Thereof VIDASYM, LLC (US) 2012-05-10 — — US disclosed
US-20120115824-A1 Vitamin D Receptor Agonists and Uses Thereof VIDASYM, LLC (US) 2012-05-10 — — US disclosed
WO-2010120698-A1 VITAMIN D RECEPTOR AGONISTS AND USES THEREOF VIDASYM, LLC (US) 2010-10-21 — — WO disclosed
US-20100093675-A1 NOVEL METHOD BIOXELL S.P.A. (IT) 2010-04-15 — — US disclosed
US-20100069339-A1 NOVEL METHOD OF TREATMENT OF MALE SUB-FERTILITY BIOXELL S.P.A. (IT) 2010-03-18 — — US disclosed
US-20100009949-A1 NOVEL METHOD BIOXELL S.P.A. (IT) 2010-01-14 — — US disclosed
CN-101541330-A Use of vitamin D compounds for preventing adhesions BIOXELL SPA (IT) 2009-09-23 — — CN disclosed
CN-101522199-A Novel method of treatment of male sub-fertility BIOXELL SPA (IT) 2009-09-02 — — CN disclosed
CN-101287705-A Synthesis of 1 alpha-fluoro-25-hydroxy-16-23E-diene-26, 27-bishomo-20-epi-cholecalciferol BIOXELL SPA (IT) 2008-10-15 — — CN disclosed
WO-2008091686-A2 SYNTHESIS OF 1α-FLUORO-25-HYDROXY-16-23E-DIENE-26,27-BISHOMO-20-EPI-CHOLECALCIFEROL BIOXELL S.P.A. (IT) 2008-07-31 — — WO disclosed
EP-1924268-A2 SYNTHESIS OF 1ALPHA-FLUORO-25-HYDROXY-16-23E-DIENE-26,27-BISHOMO-20-EPI-CHOLECALCIFEROL Bioxell S.p.a. (IT) 2008-05-28 — — EP disclosed
WO-2008043857-A2 NOVEL METHOD OF TREATMENT OF MALE SUB-FERTILITY BIOXELL SPA (IT) 2008-04-17 — — WO disclosed
WO-2008034908-A2 USE OF VITAMIN D COMPOUNDS FOR THE PREVENTION OF ADHESIONS BIOXELL SPA (IT) 2008-03-27 — — WO disclosed
WO-2007110109-A1 NOVEL METHOD BIOXELL SPA (IT) 2007-10-04 — — WO disclosed
WO-2007022433-A2 SYNTHESIS OF 1α-FLUORO-25-HYDROXY-16-23E-DIENE-26,27-BISHOMO-20-EPI-CHOLECALCIFEROL BIOXELL S.P.A. (IT) 2007-02-22 — — WO disclosed
US-5939408-A COMPOUNDS FOR TREATMENT OF SKIN DISORDERS, ANTITUMOR AGENTS AND SEBACEOUS GLAND DISEASE HOFFMAN-LA ROCHE INC. (US) 1999-08-17 — — US disclosed
JP-H08301811-A HYDROINDAN-4-OL DERIVATIVE AND ITS PRODUCTION KURARAY CO LTD 1996-11-19 — — JP disclosed
EP-0326875-A1 Didehydro-vitamin D3 derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-08-09 — — EP 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-20100069339-A1 NOVEL METHOD OF TREATMENT OF MALE SUB-FERTILITY CYP27B1, CYP2R1, SHBG CDC25A 3455/4885CDC25B 3024/4885DHCR24 86/4885
US-20120115824-A1 Vitamin D Receptor Agonists and Uses Thereof VDR, CYP2R1, CYP24A1 CDC25A 2783/4885CDC25B 3344/4885DHCR24 667/4885
US-20100009949-A1 NOVEL METHOD CYP24A1, CYP2R1, CYP27B1 CDC25A 2464/4885CDC25B 2125/4885DHCR24 33/4885
US-20100093675-A1 NOVEL METHOD GC, VDR, CYP24A1 CDC25A 1883/4885CDC25B 1661/4885DHCR24 314/4885

“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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