SCHEMBL20023089

SCHEMBL20023089

COc1c(C)cc(C(=O)CCCCC(=O)C(=O)OCc2ccccc2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
HTT P42858 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PDE4B Q07343 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
DPP4 P27487 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL20023057 0.99 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20023056 0.84 DPP4 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20023084 0.83 L3MBTL1 (0.43) DPP4ALDH1A1TDP1SLC6A2SLC6A3
SCHEMBL20023032 0.82 TDP1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20023061 0.81 NPC1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20023036 0.81 TDP1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20023053 0.81 NPC1 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20023062 0.81 NPC1 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5080187 0.80 PDE4B (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20023040 0.79 TDP1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594563-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2018-07-18 EP disclosed
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 US disclosed
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 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-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA HDAC3 1805/4885HDAC4 2178/4885HDAC1 885/4885

“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.