SCHEMBL4902251

SCHEMBL4902251

C=C1/C(=C/C=C2CCC[C@]3(C)[C@@H]([C@@H](CCCC(C)(C)O[Si](C)(C)C)CCC(=O)C(C)(C)O[Si](C)(C)C)CC[C@@H]23)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 9/20 0.44
▸ MAPT P10636 3/20 0.44
▸ ADORA3 P0DMS8 2/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ AGTR1 P30556 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ GC P02774 1/20 0.44
▸ PGR P06401 1/20 0.44
▸ RXRA P19793 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ OPRK1 P41145 1/20 0.44

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
SCHEMBL14005437 1.00 VDR (0.44) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL14489112 0.94 VDR (0.49) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL4902494 0.89 VDR (0.45) VDR
SCHEMBL14005438 0.89 VDR (0.45) VDR
SCHEMBL14005543 0.89 VDR (0.45) VDR
SCHEMBL4908286 0.89 VDR (0.45) VDR
SCHEMBL14488898 0.88 VDR (0.57) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL14489256 0.88 VDR (0.57) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL4905838 0.86 VDR (0.42) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL4906511 0.86 VDR (0.43) VDRMAPTADORA3SLC6A2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293647-A1 Combined Use Of Vitamin D Derivatives And Anti-Proliferative Agents For Treating Bladder Cancer BIOXELL S.P.A. (IT) 2008-11-27 — — US disclosed
US-20080280859-A1 GEMINI VITAMIN D3 COMPOUNDS AND METHODS OF USE THEREOF BIOXELL S.P.A. (IT) 2008-11-13 — — US disclosed
US-20080039434-A1 Treatment of Interstitial Cystitis with Vitamin D Compounds BIOXELL S. P.A. (IT) 2008-02-14 — — US disclosed
EP-1863494-A1 USE OF VITAMIN D COMPOUNDS TO TREAT ENDOMETRIOSIS Bioxell S.p.a. (IT) 2007-12-12 — — EP disclosed
US-20070054887-A1 Methods for treating bladder dysfunction BIOXELL S.P.A (IT) 2007-03-08 — — US disclosed
WO-2006100285-A1 USE OF VITAMIN D COMPOUNDS TO TREAT ENDOMETRIOSIS BIOXELL SPA (IT) 2006-09-28 — — WO 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 (4 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-20080280859-A1 GEMINI VITAMIN D3 COMPOUNDS AND METHODS OF USE THEREOF VDR, GC, CYP24A1 VDR 1/4885MAPT 2629/4885ADORA3 57/4885
US-20080293647-A1 Combined Use Of Vitamin D Derivatives And Anti-Proliferative Agents For Treating Bladder Cancer VDR, CYP24A1, CYP27B1 VDR 1/4885MAPT 4682/4885ADORA3 1375/4885
US-20080039434-A1 Treatment of Interstitial Cystitis with Vitamin D Compounds VDR, CYP24A1, CYP2R1 VDR 1/4885MAPT 3603/4885ADORA3 342/4885
US-20070054887-A1 Methods for treating bladder dysfunction CYP27B1, CYP24A1, VDR VDR 3/4885MAPT 3931/4885ADORA3 842/4885

“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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