SCHEMBL16516663

SCHEMBL16516663

COc1cc(OCc2cccc3ccccc23)ccc1/C=C/C(=O)NO

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 2/20 0.60
▸ PARP15 Q460N3 1/20 0.60
▸ HDAC8 Q9BY41 12/20 0.59
▸ LY96 Q9Y6Y9 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ BACE1 P56817 1/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46
▸ APP P05067 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL16516711 0.92 HDAC8 (0.67) PARP10PARP15HDAC8LY96HDAC6
SCHEMBL18538449 0.83 HDAC8 (0.71) HDAC8LY96HDAC3HDAC1NCOR2
SCHEMBL16516442 0.79 HDAC8 (0.84) HDAC8LY96HDAC6MEN1KMT2A
SCHEMBL16516641 0.78 HDAC8 (0.73) HDAC8LY96HDAC6MEN1KMT2A
SCHEMBL18542270 0.77 LY96 (0.74) HDAC8LY96HDAC6MEN1KMT2A
SCHEMBL16516649 0.77 HDAC8 (0.72) HDAC8LY96HDAC6MEN1KMT2A
SCHEMBL16516504 0.75 PTGER3 (0.53) PARP10PARP15MEN1KMT2ANPC1
SCHEMBL16516503 0.75 PTGER3 (0.53) PARP10PARP15MEN1KMT2ANPC1
SCHEMBL16516560 0.74 HDAC8 (0.87) HDAC8LY96HDAC3HDAC1NCOR2
SCHEMBL16516643 0.74 HDAC8 (1.00) HDAC8HDAC6HDAC3HDAC1NCOR2

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 5 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
US-20170050922-A2 HDAC8 INHIBITORS FOR TREATING CANCER CITY OF HOPE 2017-02-23 — — US disclosed
EP-3035924-A2 HDAC8 INHIBITORS FOR TREATING CANCER City of Hope (US) 2016-06-29 — — EP disclosed
WO-2015026935-A2 HDAC8 INHIBITORS FOR TREATING CANCER CITY OF HOPE (US) 2015-02-26 — — WO 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 (3 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 PARP10 1020/4885PARP15 665/4885HDAC8 1/4885
US-10308596-B2 HDAC8 inhibitors for treating cancer HDAC8, HDAC1, HDAC7 PARP10 1020/4885PARP15 665/4885HDAC8 1/4885
US-20190322617-A1 HDAC8 INHIBITORS FOR TREATING CANCER HDAC8, HDAC1, HDAC7 PARP10 1020/4885PARP15 665/4885HDAC8 1/4885

“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.

Send feedback