SCHEMBL18538449

SCHEMBL18538449

COc1cc(OCc2ccccc2)ccc1/C=C/C(=O)NO

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 10/20 0.71
▸ MAPT P10636 2/20 0.60
▸ APP P05067 1/20 0.60
▸ LY96 Q9Y6Y9 1/20 0.56
▸ ACHE P22303 1/20 0.56
▸ PTPN1 P18031 1/20 0.56
▸ HDAC3 O15379 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ NCOR2 Q9Y618 1/20 0.54
▸ BCHE P06276 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL16516442 0.92 HDAC8 (0.84) HDAC8MAPTLY96ACHEHDAC3
SCHEMBL16516560 0.91 HDAC8 (0.87) HDAC8MAPTLY96ACHEHDAC3
SCHEMBL16516641 0.90 HDAC8 (0.73) HDAC8MAPTAPPLY96ACHE
SCHEMBL16516649 0.89 HDAC8 (0.72) HDAC8MAPTAPPLY96HDAC3
SCHEMBL18559977 0.88 HDAC8 (0.69) HDAC8MAPTAPPLY96ACHE
SCHEMBL18538447 0.88 HDAC8 (0.65) HDAC8MAPTAPPPTPN1NPC1
SCHEMBL21064508 0.87 HDAC8 (0.70) HDAC8HDAC3HDAC1
SCHEMBL16516744 0.83 HDAC8 (1.00) HDAC8MAPTLY96HDAC3HDAC1
SCHEMBL16516663 0.83 PARP10 (0.60) HDAC8MAPTAPPLY96HDAC3
SCHEMBL1550021 0.83 HDAC8 (0.65) HDAC8MAPTAPPPTPN1NPC1

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
US-20170050922-A2 HDAC8 INHIBITORS FOR TREATING CANCER CITY OF HOPE 2017-02-23 — — US disclosed
CN-105979941-A Photo composition and position guidance in an imaging device 希望之城 2016-09-28 — — CN 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 HDAC8 1/4885MAPT 3015/4885APP 4751/4885
US-10308596-B2 HDAC8 inhibitors for treating cancer HDAC8, HDAC1, HDAC7 HDAC8 1/4885MAPT 3015/4885APP 4751/4885
US-20190322617-A1 HDAC8 INHIBITORS FOR TREATING CANCER HDAC8, HDAC1, HDAC7 HDAC8 1/4885MAPT 3015/4885APP 4751/4885

“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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