SCHEMBL3517279

SCHEMBL3517279

COC(C[C@@H](C)C(C)(C)OC)[C@@H](C)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 3/20 0.47
▸ CDC25B P30305 2/20 0.47
▸ P2RY12 Q9H244 1/20 0.31
▸ NR1H4 Q96RI1 2/20 0.30
▸ GRIN2A Q12879 1/20 0.30
▸ GPBAR1 Q8TDU6 1/20 0.30

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
SCHEMBL4175826 0.82 CDC25A (0.35) CDC25ACDC25B
SCHEMBL4175828 0.82 CDC25A (0.35) CDC25ACDC25B
SCHEMBL4165167 0.76 CYP19A1 (0.35) CDC25ACDC25B
SCHEMBL10041378 0.75 CDC25A (0.51) CDC25ACDC25BNR1H4GRIN2AGPBAR1
SCHEMBL15493923 0.75 CDC25A (0.51) CDC25ACDC25BNR1H4GRIN2AGPBAR1
SCHEMBL10041380 0.75 CDC25A (0.51) CDC25ACDC25BNR1H4GRIN2AGPBAR1
SCHEMBL10041382 0.75 CDC25A (0.51) CDC25ACDC25BNR1H4GRIN2AGPBAR1
SCHEMBL19263951 0.72 CDC25A (0.55) CDC25ACDC25BNR1H4GRIN2AGPBAR1
SCHEMBL10041381 0.72 CDC25A (0.55) CDC25ACDC25BNR1H4GRIN2AGPBAR1
SCHEMBL19263947 0.72 CDC25A (0.55) CDC25ACDC25BNR1H4GRIN2AGPBAR1

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-8377913-B2 Vitamin D receptor activators and methods of making ABBVIE INC. (US) 2013-02-19 — — US disclosed
EP-2222635-A2 NEW VITAMIN D RECEPTOR ACTIVATORS AND METHODS OF MAKING Abbott Laboratories (US) 2010-09-01 — — EP disclosed
WO-2009067578-A2 NEW VITAMIN D RECEPTOR ACTIVATORS AND METHODS OF MAKING ABBOTT LABORATORIES (US) 2009-05-28 — — WO disclosed
US-20090131379-A1 VITAMIN D RECEPTOR ACTIVATORS AND METHODS OF MAKING ABBOTT LABORATORIES (US) 2009-05-21 — — 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-20090131379-A1 VITAMIN D RECEPTOR ACTIVATORS AND METHODS OF MAKING VDR, CYP2R1, CYP24A1 CDC25A 2827/4885CDC25B 3469/4885P2RY12 522/4885

“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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