SCHEMBL18538458

SCHEMBL18538458

COc1ccc(/C=C/C(=O)NO)c(C)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 16/20 0.65
▸ HDAC3 O15379 5/20 0.64
▸ HDAC1 Q13547 5/20 0.64
▸ HDAC6 Q9UBN7 5/20 0.63
▸ HDAC2 Q92769 4/20 0.63
▸ HDAC4 P56524 2/20 0.63
▸ HDAC7 Q8WUI4 2/20 0.63
▸ HDAC10 Q969S8 2/20 0.63
▸ HDAC11 Q96DB2 2/20 0.63
▸ HDAC9 Q9UKV0 2/20 0.63
▸ HDAC5 Q9UQL6 2/20 0.63
▸ NCOR2 Q9Y618 1/20 0.62
▸ LY96 Q9Y6Y9 1/20 0.55

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
SCHEMBL18542270 0.85 LY96 (0.74) HDAC8HDAC3HDAC1HDAC6HDAC2
SCHEMBL3896955 0.84 MAPT (0.54) HDAC8HDAC3HDAC1LY96
SCHEMBL3896958 0.84 MAPT (0.54) HDAC8HDAC3HDAC1LY96
SCHEMBL3719964 0.83 MAPT (0.55) HDAC8LY96
SCHEMBL3719966 0.83 MAPT (0.55) HDAC8LY96
SCHEMBL3785272 0.83 THRB (0.57) HDAC8LY96
SCHEMBL3785276 0.83 THRB (0.57) HDAC8LY96
SCHEMBL20227828 0.81 MAPT (0.54) HDAC8LY96
SCHEMBL28061029 0.79 MAPT (0.49) HDAC8HDAC3HDAC1LY96
SCHEMBL16516669 0.79 HDAC8 (1.00) HDAC8HDAC3HDAC1HDAC6HDAC2

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-20170050922-A2 HDAC8 INHIBITORS FOR TREATING CANCER CITY OF HOPE 2017-02-23 — — 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-20170050922-A2 HDAC8 INHIBITORS FOR TREATING CANCER HDAC8, HDAC1, HDAC7 HDAC8 1/4885HDAC3 9/4885HDAC1 2/4885

“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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