SCHEMBL18538450

SCHEMBL18538450

COc1ccc(OCOc2cc(C)ccc2/C=C/C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 6/20 0.63
▸ GAA P10253 3/20 0.52
▸ THRB P10828 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TNFRSF1A P19438 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ PTGS2 P35354 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ LY96 Q9Y6Y9 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PTGER4 P35408 1/20 0.44
▸ PTGER3 P43115 1/20 0.44
▸ PTGER2 P43116 1/20 0.44

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
SCHEMBL18538455 0.87 HDAC8 (0.60) HDAC8GAAALDH1A1MAPTMEN1
SCHEMBL18538453 0.87 HDAC8 (0.84) HDAC8LY96
SCHEMBL8573282 0.81 ALDH1A1 (0.63) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL9222741 0.81 ALDH1A1 (0.63) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL751456 0.78 MAPT (0.60) HDAC8GAAALDH1A1MAPTMEN1
SCHEMBL751457 0.78 MAPT (0.60) HDAC8GAAALDH1A1MAPTMEN1
SCHEMBL18538446 0.78 HDAC8 (1.00) HDAC8ALDH1A1MAPTMEN1KMT2A
SCHEMBL5177688 0.76 MAPT (0.58) HDAC8GAATHRBATMALDH1A1
SCHEMBL5177680 0.76 MAPT (0.58) HDAC8GAATHRBATMALDH1A1
SCHEMBL27892982 0.75 MAPT (0.79) GAAALDH1A1MAPTMEN1KMT2A

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 1/4885GAA 1177/4885THRB 3127/4885

“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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