SCHEMBL3300947

SCHEMBL3300947

CC(C)(O)CCC[C@](C)(CC#CC(O)(C(F)(F)F)C(F)(F)F)[C@H]1CC[C@H]2C(=O)CCC[C@]12C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 9/20 0.34
▸ CYP19A1 P11511 2/20 0.32
▸ SREBF1 P36956 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL13588144 1.00 VDR (0.34) VDRCYP19A1SREBF1MAPTSMN1; SMN2
SCHEMBL3260530 1.00 VDR (0.34) VDRCYP19A1SREBF1MAPTSMN1; SMN2
SCHEMBL3260426 1.00 VDR (0.34) VDRCYP19A1SREBF1MAPTSMN1; SMN2
SCHEMBL3260431 1.00 VDR (0.34) VDRCYP19A1SREBF1MAPTSMN1; SMN2
SCHEMBL13392819 1.00 VDR (0.34) VDRCYP19A1SREBF1MAPTSMN1; SMN2
SCHEMBL3300907 1.00 VDR (0.34) VDRCYP19A1SREBF1MAPTSMN1; SMN2
SCHEMBL13392980 1.00 VDR (0.34) VDRCYP19A1SREBF1MAPTSMN1; SMN2
SCHEMBL4142595 0.94 VDR (0.31) VDRCYP19A1
SCHEMBL13393157 0.94 VDR (0.31) VDRCYP19A1
SCHEMBL13393269 0.94 VDR (0.31) VDRCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093675-A1 NOVEL METHOD BIOXELL S.P.A. (IT) 2010-04-15 — — US disclosed
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 (3 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 VDR 2/4885CYP19A1 738/4885SREBF1 778/4885
US-20100093675-A1 NOVEL METHOD GC, VDR, CYP24A1 VDR 2/4885CYP19A1 2283/4885SREBF1 707/4885
US-20090099140-A1 20-Alkyl, Gemini Vitamin D3 Compounds and Methods of Use Thereof VDR, CYP24A1, CYP2R1 VDR 1/4885CYP19A1 141/4885SREBF1 1198/4885

“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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