SCHEMBL4157673

SCHEMBL4157673

CC(C)[C@@H](C)CC[C@@H](C)C1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 8/20 0.74
▸ HDAC6 Q9UBN7 7/20 0.69
▸ HDAC3 O15379 4/20 0.69
▸ HDAC2 Q92769 3/20 0.68
▸ CYP24A1 Q07973 1/20 0.64

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
SCHEMBL13852413 1.00 VDR (0.74) VDRHDAC6HDAC3HDAC2CYP24A1
SCHEMBL4153161 0.90 VDR (0.75) VDRCYP24A1
SCHEMBL13852412 0.90 VDR (0.75) VDRCYP24A1
SCHEMBL13859925 0.88 VDR (0.80) VDRHDAC6HDAC3HDAC2
SCHEMBL19988246 0.88 VDR (0.80) VDRHDAC6HDAC3HDAC2
SCHEMBL14643170 0.88 VDR (0.80) VDRHDAC6HDAC3HDAC2
SCHEMBL805084 0.87 VDR (0.73) VDRHDAC6HDAC3HDAC2CYP24A1
SCHEMBL22394315 0.87 VDR (0.76) VDRHDAC6HDAC3HDAC2CYP24A1
SCHEMBL4156343 0.87 VDR (0.79) VDRHDAC6HDAC3HDAC2
SCHEMBL13644209 0.87 VDR (0.79) VDRHDAC6HDAC3HDAC2

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-20090131379-A1 VITAMIN D RECEPTOR ACTIVATORS AND METHODS OF MAKING ABBOTT LABORATORIES (US) 2009-05-21 — — US claimed
US-8377913-B2 Vitamin D receptor activators and methods of making ABBVIE INC. (US) 2013-02-19 — — US disclosed
US-20090131379-A1 VITAMIN D RECEPTOR ACTIVATORS AND METHODS OF MAKING ABBOTT LABORATORIES (US) 2009-05-21 — — 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-20090131379-A1 VITAMIN D RECEPTOR ACTIVATORS AND METHODS OF MAKING VDR, CYP2R1, CYP24A1 VDR 1/4885HDAC6 4770/4885HDAC3 1784/4885

“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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