SCHEMBL6463306

SCHEMBL6463306

COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1OC[N+]1(C)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.49
TNF P01375 5/20 0.47
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
USP19 O94966 1/20 0.38
PDE5A O76074 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34

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
Hydrochloric Acid SCHEMBL6030719 0.83 HDAC6 (0.51) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL2947219 0.81 EHMT2 (0.50) HDAC6TNF
SCHEMBL5562061 0.81 HDAC6 (0.55) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL664005 0.81 HDAC6 (0.55) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL7205402 0.81 HDAC6 (0.51) HDAC6TNF
SCHEMBL2922474 0.80 TNF (0.54) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL4380759 0.80 HDAC6 (0.51) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL4380760 0.80 HDAC6 (0.51) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL4376874 0.79 HDAC6 (0.53) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL7210734 0.79 HDAC6 (0.53) HDAC6TNFHDAC3HDAC4HDAC1

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-20050043395-A1 Combination therapy comprising zd6474 and a taxane ASTRAZENECA AB (SE) 2005-02-24 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-20050043395-A1 Combination therapy comprising zd6474 and a taxane ZYX, VEGFA, TEK HDAC6 858/4885TNF 548/4885HDAC3 2944/4885

“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.