SCHEMBL3221542

SCHEMBL3221542

CC(C)(O)CCCC(CCCC(C)(C)O)[C@@H]1CC[C@@H]2[C@H](O)CCC[C@]21C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 1/20 0.56
▸ CDC25B P30305 1/20 0.56
▸ OSBP P22059 3/20 0.46
▸ OSBP2 Q969R2 3/20 0.46
▸ GPR183 P32249 5/20 0.43
▸ NPC1L1 Q9UHC9 5/20 0.43
▸ CRYAB P02511 1/20 0.41
▸ HMGCR P04035 1/20 0.41
▸ ITGB3 P05106 1/20 0.41
▸ ITGAV P06756 1/20 0.41
▸ RORC P51449 1/20 0.41
▸ SREBF2 Q12772 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ VDR P11473 2/20 0.40

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
SCHEMBL13392701 1.00 CDC25A (0.56) CDC25ACDC25BOSBPOSBP2GPR183
SCHEMBL4899038 0.92 CDC25A (0.49) CDC25ACDC25BOSBPOSBP2GPR183
SCHEMBL16317442 0.92 CDC25A (0.52) CDC25ACDC25BOSBPOSBP2GPR183
SCHEMBL14005478 0.92 CDC25A (0.49) CDC25ACDC25BOSBPOSBP2GPR183
SCHEMBL4911035 0.92 CDC25A (0.49) CDC25ACDC25BOSBPOSBP2GPR183
SCHEMBL14005504 0.92 CDC25A (0.49) CDC25ACDC25BOSBPOSBP2GPR183
SCHEMBL4896073 0.91 CDC25A (0.48) CDC25ACDC25BOSBPOSBP2GPR183
SCHEMBL4896078 0.91 CDC25A (0.48) CDC25ACDC25BOSBPOSBP2GPR183
SCHEMBL14005425 0.91 CDC25A (0.48) CDC25ACDC25BOSBPOSBP2GPR183
SCHEMBL14030819 0.91 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069339-A1 NOVEL METHOD OF TREATMENT OF MALE SUB-FERTILITY BIOXELL S.P.A. (IT) 2010-03-18 — — US disclosed
EP-0980354-B1 VITAMIN D3 ANALOGS WITH BIS C-20 SIDE CHAINS HOFFMANN LA ROCHE (CH) 2002-06-19 — — EP disclosed
US-6030962-A FOR TREATING OSTEOPOROSIS, HYPERPARATHYROIDISM AND AUTOIMMUNE DISEASES SYNTTEX (U.S.A.) INC. (US) 2000-02-29 — — US disclosed
EP-0980354-A2 VITAMIN D 3? ANALOGS WITH BIS C-20 SIDE CHAINS F. HOFFMANN-LA ROCHE AG (CH) 2000-02-23 — — EP disclosed
US-6008209-A INDUCING INHIBITION OF CELL PROLIFERATION IN A BREAST TUMOR BY ADMINISTERING AN ANTITUMOR AGENT HOFFMANN-LA ROCHE INC. (US) 1999-12-28 — — US disclosed
WO-1998049138-A2 VITAMIN D3 ANALOGS WITH BIS C-20 SIDE CHAINS F.HOFFMANN-LA ROCHE AG (CH) 1998-11-05 — — WO 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-20100069339-A1 NOVEL METHOD OF TREATMENT OF MALE SUB-FERTILITY CYP27B1, CYP2R1, SHBG CDC25A 3455/4885CDC25B 3024/4885OSBP 565/4885

“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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