SCHEMBL18538453

SCHEMBL18538453

COc1ccc(OCOc2cc(C)ccc2/C=C/C(=O)NO)cc1

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 17/20 0.84
▸ HDAC3 O15379 6/20 0.52
▸ HDAC1 Q13547 6/20 0.52
▸ HDAC6 Q9UBN7 6/20 0.52
▸ HDAC2 Q92769 5/20 0.52
▸ LY96 Q9Y6Y9 1/20 0.50
▸ HDAC4 P56524 2/20 0.49
▸ HDAC7 Q8WUI4 2/20 0.49
▸ HDAC10 Q969S8 2/20 0.49
▸ HDAC11 Q96DB2 2/20 0.49
▸ HDAC9 Q9UKV0 2/20 0.49
▸ HDAC5 Q9UQL6 2/20 0.49
▸ NCOR2 Q9Y618 1/20 0.48

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
SCHEMBL18538446 0.92 HDAC8 (1.00) HDAC8HDAC3HDAC1HDAC6HDAC2
SCHEMBL18538450 0.87 HDAC8 (0.63) HDAC8LY96
SCHEMBL18538455 0.84 HDAC8 (0.60) HDAC8LY96
SCHEMBL21064515 0.82 HDAC8 (1.00) HDAC8HDAC3HDAC1HDAC6HDAC2
SCHEMBL21064511 0.81 HDAC8 (1.00) HDAC8HDAC3HDAC1HDAC6HDAC2
SCHEMBL21507723 0.81 HDAC8 (1.00) HDAC8HDAC3HDAC1HDAC6HDAC2
SCHEMBL21064510 0.80 HDAC8 (0.98) HDAC8HDAC3HDAC1HDAC6HDAC2
SCHEMBL21064506 0.79 HDAC8 (0.77) HDAC8HDAC3HDAC1HDAC6HDAC2
SCHEMBL16516744 0.79 HDAC8 (1.00) HDAC8HDAC3HDAC1HDAC6HDAC2
SCHEMBL18542270 0.77 LY96 (0.74) 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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