SCHEMBL20023071

SCHEMBL20023071

COc1ccc(C(CCC(=O)C(=O)OCc2ccccc2)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ACHE P22303 1/20 0.47
ATM Q13315 1/20 0.46
AOC3 Q16853 1/20 0.45
CNR2 P34972 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ACP3 P15309 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
CASR P41180 1/20 0.41
SLC6A9 P48067 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
SCHEMBL7636517 0.91 ALDH1A1 (0.45) ATML3MBTL1MEN1KMT2AALDH1A1
SCHEMBL7642407 0.88 UTS2R (0.42) AOC3CNR2NPC1RAB9AL3MBTL1
SCHEMBL7059127 0.79 PLAAT3 (0.61) ATMNPC1RAB9AL3MBTL1FABP7
SCHEMBL7634115 0.79 ALDH1A1 (0.43) L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL20022995 0.78 TSHR (0.58) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL7638616 0.78 KMT2A (0.43) CASRMEN1KMT2AALDH1A1
SCHEMBL7634845 0.77 LMNA (0.44) CA1CA2CNR2ALDH1A1
SCHEMBL20023103 0.77 HDAC3 (0.53) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7634833 0.77 PLAAT3 (0.63) NPC1RAB9AL3MBTL1KMT2AALDH1A1
SCHEMBL20023080 0.77 NPC1 (0.65) NPC1RAB9APDE4BL3MBTL1MEN1

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 CA1 3086/4885CA2 923/4885ACHE 3192/4885

“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.