SCHEMBL18538455

SCHEMBL18538455

CCOC(=O)/C=C/c1ccc(C)cc1OCOc1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 6/20 0.60
▸ FDPS P14324 1/20 0.46
▸ MAOB P27338 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ESR1 P03372 1/20 0.43
▸ TNFRSF1A P19438 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ LY96 Q9Y6Y9 1/20 0.42
▸ LMNA P02545 1/20 0.41

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
SCHEMBL18538450 0.87 HDAC8 (0.63) HDAC8MAPTMEN1ALDH1A1KMT2A
SCHEMBL18538453 0.84 HDAC8 (0.84) HDAC8LY96
SCHEMBL22867612 0.84 MAOB (0.57) FDPSMAOBMAPTMEN1ALDH1A1
SCHEMBL29581080 0.84 MAOB (0.57) FDPSMAOBMAPTMEN1ALDH1A1
SCHEMBL25288435 0.83 HDAC8 (0.58) HDAC8FDPSMAOBMAPTMEN1
SCHEMBL7205018 0.83 HDAC8 (0.58) HDAC8FDPSMAOBMAPTMEN1
SCHEMBL4592398 0.80 MAPT (0.68) MAOBMAPTMEN1ALDH1A1KMT2A
SCHEMBL4592405 0.80 MAPT (0.68) MAOBMAPTMEN1ALDH1A1KMT2A
SCHEMBL15248918 0.76 HDAC8 (0.60) HDAC8MEN1KMT2ALMNA
SCHEMBL18538460 0.76 HDAC8 (0.79) HDAC8MAPTMEN1ALDH1A1KMT2A

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 1/4885FDPS 4453/4885MAOB 4158/4885

“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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