SCHEMBL5069262

SCHEMBL5069262

CC[Si](CC)(CC)OC(C)(C)CCC[C@H](C)[C@H]1CC[C@H]2/C(=C/Br)CCC[C@]12C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 12/20 0.52
▸ CDC25A P30304 2/20 0.51
▸ CDC25B P30305 1/20 0.51
▸ MAPT P10636 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ SREBF1 P36956 1/20 0.48
▸ NR1I2 O75469 1/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ GC P02774 1/20 0.47
▸ PGR P06401 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ RXRA P19793 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ AGTR1 P30556 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ ADRA1A P35348 1/20 0.47

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
SCHEMBL25891893 1.00 VDR (0.52) VDRCDC25ACDC25BMAPTSMN1; SMN2
SCHEMBL22679443 1.00 VDR (0.52) VDRCDC25ACDC25BMAPTSMN1; SMN2
SCHEMBL26323394 1.00 VDR (0.52) VDRCDC25ACDC25BMAPTSMN1; SMN2
SCHEMBL6732712 1.00 VDR (0.52) VDRCDC25ACDC25BMAPTSMN1; SMN2
SCHEMBL3981068 0.90 VDR (0.51) VDRCDC25ACDC25BMAPTSMN1; SMN2
SCHEMBL14259155 0.90 VDR (0.51) VDRCDC25ACDC25BMAPTSMN1; SMN2
SCHEMBL29481140 0.89 CDC25A (0.67) VDRCDC25ACDC25BMAPTSMN1; SMN2
SCHEMBL13841867 0.86 VDR (0.50) VDRCDC25ACDC25BMAPTSMN1; SMN2
SCHEMBL25891913 0.86 CDC25A (0.46) VDRCDC25ACDC25BMAPTSMN1; SMN2
SCHEMBL3903380 0.86 CDC25A (0.55) VDRCDC25ACDC25BMAPTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061070-B1 Process for the preparation of ED-71 CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-07-16 — — EP disclosed
US-6538145-B2 Having a hydroxy group at 24-position and, optionally, a substituent at 2 beta position; reacting intermediates of the A ring part and intermediates of the C ring; cyclization; coupling; control of calcium metabolism; antitumor agents CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-25 — — US disclosed
US-20020094972-A1 24-hydroxy vitamin D derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-18 — — US disclosed
EP-1061070-A1 24-HYDROXYVITAMIN D DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-12-20 — — EP 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-20020094972-A1 24-hydroxy vitamin D derivatives CYP24A1, VDR, CYP2R1 VDR 2/4885CDC25A 1723/4885CDC25B 2256/4885

“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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