SCHEMBL21064515

SCHEMBL21064515

COc1ccc(OCCOc2cc(OC)ccc2/C=C/C(=O)NO)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 15/20 1.00
▸ LY96 Q9Y6Y9 1/20 0.60
▸ HDAC3 O15379 5/20 0.56
▸ HDAC1 Q13547 5/20 0.56
▸ HDAC2 Q92769 3/20 0.56
▸ HDAC6 Q9UBN7 3/20 0.56
▸ HDAC4 P56524 2/20 0.54
▸ HDAC7 Q8WUI4 2/20 0.54
▸ HDAC10 Q969S8 2/20 0.54
▸ HDAC11 Q96DB2 2/20 0.54
▸ HDAC9 Q9UKV0 2/20 0.54
▸ HDAC5 Q9UQL6 2/20 0.54
▸ NCOR2 Q9Y618 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ TNFRSF1A P19438 1/20 0.52
▸ BACE1 P56817 1/20 0.52

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
SCHEMBL21064511 0.96 HDAC8 (1.00) HDAC8LY96HDAC3HDAC1HDAC2
SCHEMBL21507723 0.96 HDAC8 (1.00) HDAC8LY96HDAC3HDAC1HDAC2
SCHEMBL21064510 0.95 HDAC8 (0.98) HDAC8LY96HDAC3HDAC1HDAC2
SCHEMBL16516707 0.91 HDAC8 (0.83) HDAC8LY96HDAC3HDAC1HDAC2
SCHEMBL18538446 0.90 HDAC8 (1.00) HDAC8LY96HDAC3HDAC1HDAC2
SCHEMBL21064506 0.87 HDAC8 (0.77) HDAC8LY96HDAC3HDAC1HDAC2
SCHEMBL16516744 0.86 HDAC8 (1.00) HDAC8LY96HDAC3HDAC1HDAC2
SCHEMBL18542270 0.85 LY96 (0.74) HDAC8LY96HDAC3HDAC1HDAC2
SCHEMBL18538453 0.82 HDAC8 (0.84) HDAC8LY96HDAC3HDAC1HDAC2
SCHEMBL16516560 0.82 HDAC8 (0.87) HDAC8LY96HDAC3HDAC1NCOR2

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-20190322617-A1 HDAC8 INHIBITORS FOR TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-10-24 — — US disclosed
US-10308596-B2 HDAC8 inhibitors for treating cancer CITY OF HOPE (US) 2019-06-04 — — 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 (2 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-10308596-B2 HDAC8 inhibitors for treating cancer HDAC8, HDAC1, HDAC7 HDAC8 1/4885LY96 3343/4885HDAC3 9/4885
US-20190322617-A1 HDAC8 INHIBITORS FOR TREATING CANCER HDAC8, HDAC1, HDAC7 HDAC8 1/4885LY96 3343/4885HDAC3 9/4885

“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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