SCHEMBL4090676

SCHEMBL4090676

[2H]c1c2oc3c([2H])c(C)c(C)cc3c(-c3ccccc3C(=O)N(C)CCCCCC(=O)OC)c-2cc(C)/c1=N\CC

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.31

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
SCHEMBL1095312 0.92 HDAC6 (0.32) HDAC6
SCHEMBL4080487 0.90 — —
SCHEMBL4085633 0.90 HDAC6 (0.34) HDAC6HSP90AA1
SCHEMBL1095524 0.84 HDAC6 (0.33) HDAC6HSP90AA1
SCHEMBL1095836 0.83 — —
SCHEMBL4080393 0.80 KDM4E (0.41) HSP90AA1
SCHEMBL4080660 0.79 PSMB8 (0.34) HSP90AA1
SCHEMBL12763965 0.78 MEN1 (0.34) HDAC6HSP90AA1
SCHEMBL1096513 0.76 — —
SCHEMBL13770605 0.76 ABCB1 (0.35) HDAC6HSP90AA1

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-20120107830-A1 REAGENTS FOR BIOMOLECULAR LABELING, DETECTION AND QUANTIFICATION EMPLOYING RAMAN SPECTROSCOPY PURDUE RESEARCH FOUNDATION 2012-05-03 — — 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-20120107830-A1 REAGENTS FOR BIOMOLECULAR LABELING, DETECTION AND QUANTIFICATION EMPLOYING RAMAN SPECTROSCOPY SRMS, UQCRB, UQCRC1 HDAC6 3373/4885HSP90AA1 3399/4885

“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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