SCHEMBL14270579

SCHEMBL14270579

C[C@@H](CCC(=O)C(C)(C)O)[C@H]1CCC2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 13/20 0.76
▸ HDAC6 Q9UBN7 7/20 0.71
▸ HDAC3 O15379 4/20 0.71
▸ HDAC2 Q92769 3/20 0.70
▸ CYP24A1 Q07973 1/20 0.61

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
SCHEMBL16317484 1.00 VDR (0.76) VDRHDAC6HDAC3HDAC2CYP24A1
SCHEMBL4156343 0.89 VDR (0.79) VDRHDAC6HDAC3HDAC2
SCHEMBL14005325 0.87 VDR (0.65) VDRHDAC6HDAC3HDAC2
SCHEMBL14030848 0.87 VDR (0.73) VDRHDAC6HDAC3HDAC2CYP24A1
SCHEMBL13392197 0.87 VDR (0.73) VDRHDAC6HDAC3HDAC2CYP24A1
SCHEMBL14005440 0.87 VDR (0.73) VDRHDAC6HDAC3HDAC2CYP24A1
SCHEMBL14005544 0.87 VDR (0.73) VDRHDAC6HDAC3HDAC2CYP24A1
SCHEMBL19988205 0.87 VDR (1.00) VDRHDAC6HDAC3CYP24A1
SCHEMBL3056435 0.87 VDR (1.00) VDRHDAC6HDAC3CYP24A1
SCHEMBL12047912 0.87 VDR (1.00) VDRHDAC6HDAC3CYP24A1

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-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
US-20080039434-A1 Treatment of Interstitial Cystitis with Vitamin D Compounds BIOXELL S. P.A. (IT) 2008-02-14 — — 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-20080293647-A1 Combined Use Of Vitamin D Derivatives And Anti-Proliferative Agents For Treating Bladder Cancer VDR, CYP24A1, CYP27B1 VDR 1/4885HDAC6 896/4885HDAC3 943/4885
US-20080039434-A1 Treatment of Interstitial Cystitis with Vitamin D Compounds VDR, CYP24A1, CYP2R1 VDR 1/4885HDAC6 1458/4885HDAC3 1136/4885

“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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