SCHEMBL8014789

SCHEMBL8014789

C[C@H](CCCC(=O)NO)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 9/20 1.00
▸ HDAC3 O15379 5/20 1.00
▸ VDR P11473 16/20 0.95
▸ HDAC2 Q92769 4/20 0.95

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
SCHEMBL8225164 1.00 HDAC6 (1.00) HDAC6HDAC3VDRHDAC2
SCHEMBL8006551 0.97 VDR (1.00) HDAC6HDAC3VDRHDAC2
SCHEMBL8226141 0.97 VDR (1.00) HDAC6HDAC3VDRHDAC2
SCHEMBL13532024 0.90 HDAC6 (0.81) HDAC6HDAC3VDRHDAC2
SCHEMBL13531885 0.90 HDAC6 (0.81) HDAC6HDAC3VDRHDAC2
SCHEMBL3185156 0.89 HDAC6 (0.81) HDAC6HDAC3VDRHDAC2
SCHEMBL8008890 0.88 VDR (0.82) HDAC6HDAC3VDRHDAC2
SCHEMBL7997232 0.88 HDAC6 (0.78) HDAC6HDAC3VDRHDAC2
SCHEMBL13531887 0.87 VDR (0.82) HDAC6HDAC3VDRHDAC2
SCHEMBL7999288 0.87 VDR (0.80) HDAC6HDAC3VDRHDAC2

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
US-20100016435-A1 HYBRID MOLECULES HAVING MIXED VITAMIN D RECEPTOR AGONISM AND HISTONE DEACETYLASE INHIBITORY PROPERTIES MCGILL UNIVERSITY (CA) 2010-01-21 — — US disclosed
US-20100016435-A1 HYBRID MOLECULES HAVING MIXED VITAMIN D RECEPTOR AGONISM AND HISTONE DEACETYLASE INHIBITORY PROPERTIES MCGILL UNIVERSITY (CA) 2010-01-21 — — US disclosed
WO-2009117831-A9 HYBRID MOLECULES HAVING MIXED VITAMIN D RECEPTOR AGONISM AND HISTONE DEACETYLASE INHIBITORY PROPERTIES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2009-12-30 — — WO disclosed
WO-2007131364-A1 HYBRID MOLECULES HAVING MIXED VITAMIN D RECEPTOR AGONISM AND HISTONE DEACETYLASE INHIBITORY PROPERTIES MCGILL UNIVERSITY (CA) 2007-11-22 — — 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 (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-20100016435-A1 HYBRID MOLECULES HAVING MIXED VITAMIN D RECEPTOR AGONISM AND HISTONE DEACETYLASE INHIBITORY PROPERTIES VDR, HDAC3, HDAC4 HDAC6 20/4885HDAC3 2/4885VDR 1/4885

“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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