SCHEMBL9925372

SCHEMBL9925372

COC[C@@H](C)C1CC[C@H]2C(=O)CCC[C@]12C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 2/20 0.44
▸ CDC25B P30305 1/20 0.44
▸ CYP19A1 P11511 2/20 0.42
▸ VDR P11473 14/20 0.39
▸ ADORA3 P0DMS8 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ AGTR1 P30556 1/20 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
SCHEMBL18193607 1.00 CDC25A (0.44) CDC25ACDC25BCYP19A1VDRADORA3
SCHEMBL13641152 0.87 CDC25A (0.51) CDC25ACDC25BVDR
SCHEMBL18193615 0.86 CDC25A (0.42) CDC25ACDC25BCYP19A1VDR
SCHEMBL12213431 0.86 CDC25A (0.50) CDC25ACDC25BVDR
SCHEMBL14208292 0.84 CDC25A (0.46) CDC25ACDC25BCYP19A1VDR
SCHEMBL5020106 0.84 CDC25A (0.46) CDC25ACDC25BCYP19A1VDR
SCHEMBL814138 0.84 CDC25A (0.46) CDC25ACDC25BCYP19A1VDR
SCHEMBL817082 0.84 CDC25A (0.46) CDC25ACDC25BCYP19A1VDR
SCHEMBL4787102 0.84 CDC25A (0.46) CDC25ACDC25BCYP19A1VDR
SCHEMBL814645 0.84 CDC25A (0.46) CDC25ACDC25BCYP19A1VDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212136-B2 Methods for producing paricalcitol AZAD PHARMACEUTICALS INGREDIENTS AG (CH) 2015-12-15 — — US disclosed
US-8754067-B2 22-haloacetoxy-homopregnacalciferol analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-06-17 — — US disclosed
US-20120149669-A1 22-Haloacetoxy-Homopregnacalciferol Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-06-14 — — US disclosed
US-20110184199-A1 Methods For Producing Paricalcitol AZAD PHARMA AG (CH) 2011-07-28 — — 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 (2 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-20120149669-A1 22-Haloacetoxy-Homopregnacalciferol Analogs and Their Uses CYP27B1, CYP27A1, MCL1 CDC25A 3126/4885CDC25B 2923/4885CYP19A1 1820/4885
US-20110184199-A1 Methods For Producing Paricalcitol CYP2R1, PTH1R, CYP24A1 CDC25A 1705/4885CDC25B 1454/4885CYP19A1 767/4885

“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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