SCHEMBL4908286

SCHEMBL4908286

CC(C)(CCC[C@@H](CCC(=O)C(C)(C)O[Si](C)(C)C)[C@H]1CC[C@@H]2C(=CC=C3CC(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C3)CCC[C@]21C)O[Si](C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 7/20 0.45
▸ HDAC3 O15379 3/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.43
▸ HDAC2 Q92769 2/20 0.43

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
SCHEMBL14005543 1.00 VDR (0.45) VDRHDAC3HDAC6HDAC2
SCHEMBL14005438 1.00 VDR (0.45) VDRHDAC3HDAC6HDAC2
SCHEMBL4902494 1.00 VDR (0.45) VDRHDAC3HDAC6HDAC2
SCHEMBL14005437 0.89 VDR (0.44) VDR
SCHEMBL4902251 0.89 VDR (0.44) VDR
SCHEMBL14489200 0.87 VDR (0.61) VDR
SCHEMBL14489083 0.87 VDR (0.61) VDR
SCHEMBL14489112 0.81 VDR (0.49) VDR
SCHEMBL4902225 0.81 VDR (0.43) VDR
SCHEMBL14005412 0.81 VDR (0.43) VDR

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 5 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-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 (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-20080293647-A1 Combined Use Of Vitamin D Derivatives And Anti-Proliferative Agents For Treating Bladder Cancer VDR, CYP24A1, CYP27B1 VDR 1/4885HDAC3 943/4885HDAC6 896/4885
US-20080039434-A1 Treatment of Interstitial Cystitis with Vitamin D Compounds VDR, CYP24A1, CYP2R1 VDR 1/4885HDAC3 1136/4885HDAC6 1458/4885
US-20070054887-A1 Methods for treating bladder dysfunction CYP27B1, CYP24A1, VDR VDR 3/4885HDAC3 2633/4885HDAC6 2027/4885

“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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