SCHEMBL817082

SCHEMBL817082

CC[C@H](C)C1CCC2C(=O)CCC[C@@]21C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 2/20 0.46
▸ CDC25B P30305 1/20 0.46
▸ CYP19A1 P11511 2/20 0.45
▸ VDR P11473 9/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL14523027 1.00 CDC25A (0.46) CDC25ACDC25BCYP19A1VDRHDAC3
SCHEMBL10820224 1.00 CDC25A (0.46) CDC25ACDC25BCYP19A1VDRHDAC3
SCHEMBL817094 1.00 CDC25A (0.46) CDC25ACDC25BCYP19A1VDRHDAC3
SCHEMBL10125598 1.00 CDC25A (0.46) CDC25ACDC25BCYP19A1VDRHDAC3
SCHEMBL4903376 1.00 CDC25A (0.46) CDC25ACDC25BCYP19A1VDRHDAC3
SCHEMBL814645 1.00 CDC25A (0.46) CDC25ACDC25BCYP19A1VDRHDAC3
SCHEMBL4787102 1.00 CDC25A (0.46) CDC25ACDC25BCYP19A1VDRHDAC3
SCHEMBL14112429 1.00 CDC25A (0.46) CDC25ACDC25BCYP19A1VDRHDAC3
SCHEMBL814138 1.00 CDC25A (0.46) CDC25ACDC25BCYP19A1VDRHDAC3
SCHEMBL13790311 1.00 CDC25A (0.46) CDC25ACDC25BCYP19A1VDRHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058265-B2 1a-hydroxy-2-(3'-hydroxypropylidene)-19-nor-vitamin D compounds and methods of making and treatment thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-11-15 — — US disclosed
US-8058265-B2 1a-hydroxy-2-(3'-hydroxypropylidene)-19-nor-vitamin D compounds and methods of making and treatment thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-11-15 — — US disclosed
US-20090281340-A1 1ALPHA-HYDROXY-2-(3'-HYDROXYPROPYLIDENE)-19-NOR-VITAMIN D COMPOUNDS AND METHODS OF MAKING AND TREATMENT THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-11-12 — — US disclosed
US-20090281340-A1 1ALPHA-HYDROXY-2-(3'-HYDROXYPROPYLIDENE)-19-NOR-VITAMIN D COMPOUNDS AND METHODS OF MAKING AND TREATMENT THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-11-12 — — US disclosed
EP-1453798-B1 (20S)-1ALPHA-HYDROXY-2-METHYLENE-19-NOR-BISHOMOPREGNACALCIFEROL AND ITS USES WISCONSIN ALUMNI RES FOUND (US) 2008-10-15 — — EP disclosed
US-20070244072-A1 1a-Hydroxy-2-(3'-Hydroxypropylidene)-19-nor-vitamin D compounds and methods of making and treatment thereof WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-10-18 — — US disclosed
US-20070244072-A1 1a-Hydroxy-2-(3'-Hydroxypropylidene)-19-nor-vitamin D compounds and methods of making and treatment thereof WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-10-18 — — US disclosed
WO-2007117563-A2 1.ALPHA.-HYDROXY-2-(3'-HYDROXYPROPYLIDENE)-19-NOR-VITAMIN D COMPOUNDS AND METHODS OF MAKING AND USE THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-10-18 — — 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 (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-20070244072-A1 1a-Hydroxy-2-(3'-Hydroxypropylidene)-19-nor-vitamin D compounds and methods of making and treatment thereof CYP24A1, CYP2R1, VDR CDC25A 3329/4885CDC25B 3238/4885CYP19A1 55/4885
US-20090281340-A1 1ALPHA-HYDROXY-2-(3'-HYDROXYPROPYLIDENE)-19-NOR-VITAMIN D COMPOUNDS AND METHODS OF MAKING AND TREATMENT THEREOF CYP24A1, CYP2R1, VDR CDC25A 3469/4885CDC25B 3268/4885CYP19A1 61/4885

“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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