SCHEMBL13588136

SCHEMBL13588136

C=C(CCO[Si](C)(C)C(C)(C)C)C1CCC2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PPM1D O15297 2/20 0.32

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
SCHEMBL3302550 1.00 PPM1D (0.32) PPM1D
SCHEMBL3259396 1.00 PPM1D (0.32) PPM1D
SCHEMBL13392742 1.00 PPM1D (0.32) PPM1D
SCHEMBL13392744 0.89 PPM1D (0.35) PPM1D
SCHEMBL13588131 0.89 PPM1D (0.35) PPM1D
SCHEMBL14005447 0.89 PPM1D (0.35) PPM1D
SCHEMBL3302592 0.89 PPM1D (0.35) PPM1D
SCHEMBL7105132 0.89 PPM1D (0.35) PPM1D
SCHEMBL8992725 0.86 PPM1D (0.36) PPM1D
SCHEMBL9009472 0.86 PPM1D (0.36) PPM1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298799-A1 Methods of Treating Osteoporosis and Secondary Hyperparathyroidism Using 20-Methyl, Gemini Vitamin D3 Compounds BIOXELL S.P.A. (IT) 2009-12-03 US disclosed
US-20090099140-A1 20-Alkyl, Gemini Vitamin D3 Compounds and Methods of Use Thereof BIOXELL S.P.A. (IT) 2009-04-16 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-20090298799-A1 Methods of Treating Osteoporosis and Secondary Hyperparathyroidism Using 20-Methyl, Gemini Vitamin D3 Compounds PTH1R, VDR, CYP24A1 PPM1D 656/4885
US-20090099140-A1 20-Alkyl, Gemini Vitamin D3 Compounds and Methods of Use Thereof VDR, CYP24A1, CYP2R1 PPM1D 3662/4885

“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.