SCHEMBL7870804

SCHEMBL7870804

C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@](SCCCC)(c2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)N[C@]1(C(=O)OCC)C[C@H]1C=C

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.35
HDAC8 Q9BY41 3/20 0.35

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
SCHEMBL1487490 0.88 HDAC1 (0.37) HDAC1HDAC8
SCHEMBL2541221 0.88 HDAC1 (0.37) HDAC1HDAC8
SCHEMBL8203154 0.88 HDAC1 (0.37) HDAC1HDAC8
SCHEMBL7859864 0.87 HDAC1 (0.35) HDAC1HDAC8
SCHEMBL1490123 0.86 HDAC1 (0.36) HDAC1HDAC8
SCHEMBL1490122 0.86 HDAC1 (0.36) HDAC1HDAC8
SCHEMBL1490120 0.86 HDAC1 (0.36) HDAC1HDAC8
SCHEMBL1487534 0.85 CYP3A4 (0.35)
SCHEMBL2537964 0.85 CYP3A4 (0.35)
SCHEMBL1937243 0.85 HDAC1 (0.36) HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044023-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
US-20090297472-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 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-20090297472-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL HDAC1 1626/4885HDAC8 2044/4885

“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.