SCHEMBL4454664

SCHEMBL4454664

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

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 1/20 0.46
VDR P11473 8/20 0.45
AR P10275 8/20 0.45

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
SCHEMBL2978821 0.80 VDR (0.69) HDAC6HDAC3HDAC1VDRAR
SCHEMBL13203653 0.80 VDR (0.69) HDAC6HDAC3HDAC1VDRAR
SCHEMBL13203654 0.80 VDR (0.69) HDAC6HDAC3HDAC1VDRAR
SCHEMBL6228546 0.80 HDAC6 (0.43) HDAC6HDAC3HDAC1VDRAR
SCHEMBL6227729 0.80 HDAC6 (0.43) HDAC6HDAC3HDAC1VDRAR
SCHEMBL4454665 0.78 HDAC6 (0.42) HDAC6HDAC3HDAC1VDRAR
SCHEMBL6230198 0.73 HDAC6 (0.45) HDAC6HDAC3HDAC1VDRAR
SCHEMBL16183070 0.73 VDR (0.67) HDAC6HDAC3HDAC1VDRAR
SCHEMBL13203850 0.72 HDAC6 (0.64) HDAC6HDAC3HDAC1VDRAR
SCHEMBL2975662 0.72 HDAC6 (0.58) HDAC6HDAC3HDAC1VDRAR

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-20090018058-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (US) 2009-01-15 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-20090018058-A1 Vitamin D Receptor Modulators VDR, CYP2R1, CYP24A1 HDAC6 4137/4885HDAC3 1685/4885HDAC1 2890/4885

“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.