SCHEMBL29754394

SCHEMBL29754394

CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VDR P11473 12/20 1.00
AR P10275 5/20 0.77
HDAC6 Q9UBN7 4/20 0.61
HDAC3 O15379 3/20 0.61
HDAC1 Q13547 1/20 0.57

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
SCHEMBL7181681 1.00 VDR (1.00) VDRARHDAC6HDAC3HDAC1
SCHEMBL16183037 0.94 VDR (0.89) VDRARHDAC6HDAC3HDAC1
SCHEMBL16183080 0.94 VDR (0.89) VDRARHDAC6HDAC3HDAC1
SCHEMBL16177773 0.94 VDR (0.89) VDRARHDAC6HDAC3
SCHEMBL2944811 0.93 VDR (0.87) VDRARHDAC6HDAC3
SCHEMBL20059753 0.93 VDR (0.87) VDRARHDAC6HDAC3HDAC1
SCHEMBL15059136 0.93 VDR (0.87) VDRARHDAC6HDAC3
SCHEMBL2946219 0.92 VDR (0.85) VDRARHDAC6HDAC3
SCHEMBL14254352 0.92 VDR (0.85) VDRARHDAC6HDAC3HDAC1
SCHEMBL2973082 0.92 VDR (0.85) VDRARHDAC6HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11376264-B2 Use of bromodomain-containing protein 9 antagonists in combination with vitamin D receptor agonists in diabetes treatment SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2022-07-05 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 (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-11376264-B2 Use of bromodomain-containing protein 9 antagonists in combination with vitamin D receptor agonists in diabetes treatment BRD9, BRD2, BRD3 VDR 5/4885AR 1711/4885HDAC6 2364/4885

“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.