SCHEMBL4180944

SCHEMBL4180944

CC(=O)OC1CCCC2(C)C(C(C)CO)CCC12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 5/20 0.50
CDC25B P30305 2/20 0.50
DHCR24 Q15392 2/20 0.47
USP2 O75604 1/20 0.44
VDR P11473 1/20 0.44
SRD5A2 P31213 1/20 0.42
PTPN1 P18031 1/20 0.41
GPBAR1 Q8TDU6 4/20 0.39
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

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
SCHEMBL13392661 1.00 CDC25A (0.50) CDC25ACDC25BDHCR24USP2VDR
SCHEMBL6830893 1.00 CDC25A (0.50) CDC25ACDC25BDHCR24USP2VDR
SCHEMBL13853984 0.90 CDC25A (0.50) CDC25ACDC25BDHCR24USP2VDR
SCHEMBL6690597 0.87 CDC25A (0.48) CDC25ACDC25BDHCR24USP2VDR
SCHEMBL8502677 0.87 CDC25A (0.48) CDC25ACDC25BDHCR24USP2VDR
SCHEMBL13556503 0.83 CDC25A (0.51) CDC25ACDC25BDHCR24SRD5A2GPBAR1
SCHEMBL10820754 0.83 CDC25A (0.51) CDC25ACDC25BDHCR24SRD5A2GPBAR1
SCHEMBL12299291 0.83 CDC25A (0.51) CDC25ACDC25BDHCR24SRD5A2GPBAR1
SCHEMBL5070148 0.82 CDC25A (0.54) CDC25ACDC25BVDR
SCHEMBL4178422 0.82 CDC25A (0.42) CDC25ACDC25BDHCR24USP2VDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137828-A1 Synthesis of 1A-Fluoro-25-Hydroxy-16-23E-Diene-26,27-Bishomo-20-Epi-Cholecalciferol BIOXELL S.P.A. (IT) 2009-05-28 US claimed
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 claimed
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 claimed
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 claimed
US-20090137828-A1 Synthesis of 1A-Fluoro-25-Hydroxy-16-23E-Diene-26,27-Bishomo-20-Epi-Cholecalciferol BIOXELL S.P.A. (IT) 2009-05-28 US 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-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

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-20090137828-A1 Synthesis of 1A-Fluoro-25-Hydroxy-16-23E-Diene-26,27-Bishomo-20-Epi-Cholecalciferol CYP24A1, CYP2R1, CYP27B1 CDC25A 2558/4885CDC25B 2734/4885DHCR24 13/4885

“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.