SCHEMBL4178422

SCHEMBL4178422

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 5/20 0.42
CDC25B P30305 3/20 0.42
CYP17A1 P05093 1/20 0.38
USP2 O75604 1/20 0.38
VDR P11473 1/20 0.38
CYP1A2 P05177 1/20 0.37
BCHE P06276 3/20 0.36
ACHE P22303 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.35
PTPN1 P18031 1/20 0.35
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
DHCR24 Q15392 1/20 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
SCHEMBL13392639 1.00 CDC25A (0.42) CDC25ACDC25BCYP17A1USP2VDR
SCHEMBL6691587 1.00 CDC25A (0.42) CDC25ACDC25BCYP17A1USP2VDR
SCHEMBL13392632 1.00 CDC25A (0.42) CDC25ACDC25BCYP17A1USP2VDR
SCHEMBL8992642 1.00 CDC25A (0.42) CDC25ACDC25BCYP17A1USP2VDR
SCHEMBL13853981 0.88 CDC25A (0.41) CDC25ACDC25BUSP2VDRCYP1A2
SCHEMBL13765012 0.83 CYP17A1 (0.44) CDC25ACDC25BCYP17A1GPBAR1
SCHEMBL10125289 0.83 CYP17A1 (0.44) CDC25ACDC25BCYP17A1GPBAR1
SCHEMBL9070756 0.83 CYP17A1 (0.44) CDC25ACDC25BCYP17A1GPBAR1
SCHEMBL14501680 0.82 CDC25A (0.42) CDC25ACDC25BCYP17A1GPBAR1
SCHEMBL13853984 0.82 CDC25A (0.50) CDC25ACDC25BUSP2VDRGPBAR1

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 5 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
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
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 2734/4885CYP17A1 21/4885

“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.