SCHEMBL13588190

SCHEMBL13588190

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 12/20 0.36
▸ CYP19A1 P11511 2/20 0.34
▸ MAPT P10636 2/20 0.32
▸ SREBF1 P36956 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ GC P02774 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ AGTR1 P30556 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ PTGS2 P35354 1/20 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
SCHEMBL13410629 1.00 VDR (0.36) VDRCYP19A1MAPTSREBF1SMN1; SMN2
SCHEMBL3258795 0.89 VDR (0.41) VDRCYP19A1MAPTSREBF1SMN1; SMN2
SCHEMBL3258798 0.89 VDR (0.41) VDRCYP19A1MAPTSREBF1SMN1; SMN2
SCHEMBL3297400 0.89 VDR (0.41) VDRCYP19A1MAPTSREBF1SMN1; SMN2
SCHEMBL13875473 0.87 VDR (0.33) VDRCYP19A1
SCHEMBL13392980 0.84 VDR (0.34) VDRCYP19A1MAPTSREBF1SMN1; SMN2
SCHEMBL3300947 0.84 VDR (0.34) VDRCYP19A1MAPTSREBF1SMN1; SMN2
SCHEMBL13588144 0.84 VDR (0.34) VDRCYP19A1MAPTSREBF1SMN1; SMN2
SCHEMBL13392819 0.84 VDR (0.34) VDRCYP19A1MAPTSREBF1SMN1; SMN2
SCHEMBL3260431 0.84 VDR (0.34) VDRCYP19A1MAPTSREBF1SMN1; SMN2

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 VDR 2/4885CYP19A1 738/4885MAPT 2468/4885
US-20090099140-A1 20-Alkyl, Gemini Vitamin D3 Compounds and Methods of Use Thereof VDR, CYP24A1, CYP2R1 VDR 1/4885CYP19A1 141/4885MAPT 3551/4885

“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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