SCHEMBL14005504

SCHEMBL14005504

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 1/20 0.49
▸ CDC25B P30305 1/20 0.49
▸ OSBP P22059 3/20 0.41
▸ OSBP2 Q969R2 3/20 0.41
▸ GPR183 P32249 5/20 0.39
▸ NPC1L1 Q9UHC9 5/20 0.39
▸ CRYAB P02511 1/20 0.37
▸ HMGCR P04035 1/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ SREBF2 Q12772 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ VDR P11473 2/20 0.36

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
SCHEMBL4911035 1.00 CDC25A (0.49) CDC25ACDC25BOSBPOSBP2GPR183
SCHEMBL14005478 1.00 CDC25A (0.49) CDC25ACDC25BOSBPOSBP2GPR183
SCHEMBL4899038 1.00 CDC25A (0.49) CDC25ACDC25BOSBPOSBP2GPR183
SCHEMBL13392701 0.92 CDC25A (0.56) CDC25ACDC25BOSBPOSBP2GPR183
SCHEMBL3221542 0.92 CDC25A (0.56) CDC25ACDC25BOSBPOSBP2GPR183
SCHEMBL14005400 0.89 OSBP (0.39) CDC25ACDC25BOSBPOSBP2GPR183
SCHEMBL16317442 0.89 CDC25A (0.52) CDC25ACDC25BOSBPOSBP2GPR183
SCHEMBL4896078 0.83 CDC25A (0.48) CDC25ACDC25BOSBPOSBP2GPR183
SCHEMBL4896073 0.83 CDC25A (0.48) CDC25ACDC25BOSBPOSBP2GPR183
SCHEMBL14005425 0.83 CDC25A (0.48) CDC25ACDC25BOSBPOSBP2GPR183

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293647-A1 Combined Use Of Vitamin D Derivatives And Anti-Proliferative Agents For Treating Bladder Cancer BIOXELL S.P.A. (IT) 2008-11-27 — — US disclosed
US-20080293647-A1 Combined Use Of Vitamin D Derivatives And Anti-Proliferative Agents For Treating Bladder Cancer BIOXELL S.P.A. (IT) 2008-11-27 — — US disclosed
US-20080280860-A1 Use of Vitamin D Compounds to Treat Endometriosis BIOXELL S.P.A. (IT) 2008-11-13 — — US disclosed
US-20080280859-A1 GEMINI VITAMIN D3 COMPOUNDS AND METHODS OF USE THEREOF BIOXELL S.P.A. (IT) 2008-11-13 — — US disclosed
US-20080039434-A1 Treatment of Interstitial Cystitis with Vitamin D Compounds BIOXELL S. P.A. (IT) 2008-02-14 — — US disclosed
US-20080039434-A1 Treatment of Interstitial Cystitis with Vitamin D Compounds BIOXELL S. P.A. (IT) 2008-02-14 — — US disclosed
US-20070054887-A1 Methods for treating bladder dysfunction BIOXELL S.P.A (IT) 2007-03-08 — — 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 (5 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-20080280859-A1 GEMINI VITAMIN D3 COMPOUNDS AND METHODS OF USE THEREOF VDR, GC, CYP24A1 CDC25A 2295/4885CDC25B 2421/4885OSBP 1841/4885
US-20080293647-A1 Combined Use Of Vitamin D Derivatives And Anti-Proliferative Agents For Treating Bladder Cancer VDR, CYP24A1, CYP27B1 CDC25A 110/4885CDC25B 107/4885OSBP 3126/4885
US-20080039434-A1 Treatment of Interstitial Cystitis with Vitamin D Compounds VDR, CYP24A1, CYP2R1 CDC25A 1832/4885CDC25B 1833/4885OSBP 2763/4885
US-20080280860-A1 Use of Vitamin D Compounds to Treat Endometriosis VDR, CYP24A1, CYP2R1 CDC25A 2029/4885CDC25B 2271/4885OSBP 623/4885
US-20070054887-A1 Methods for treating bladder dysfunction CYP27B1, CYP24A1, VDR CDC25A 3163/4885CDC25B 2889/4885OSBP 1413/4885

“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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