SCHEMBL20023080

SCHEMBL20023080

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
MAPT P10636 2/20 0.55
PDE4B Q07343 1/20 0.55
EGFR P00533 2/20 0.50
KMT2A Q03164 2/20 0.50
MMP1 P03956 1/20 0.50
MEN1 O00255 1/20 0.50
CYP3A4 P08684 1/20 0.50
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
PLAU P00749 1/20 0.48
ELANE P08246 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD11B1 P28845 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46

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
SCHEMBL20023137 0.96 NPC1 (0.60) NPC1RAB9AMAPTPDE4BEGFR
SCHEMBL20023061 0.92 NPC1 (0.62) NPC1RAB9AMAPTPDE4BEGFR
SCHEMBL20023091 0.92 PDE4B (0.63) NPC1RAB9AMAPTPDE4BEGFR
SCHEMBL20023062 0.91 NPC1 (0.60) NPC1RAB9AMAPTPDE4BEGFR
SCHEMBL20023053 0.91 NPC1 (0.60) NPC1RAB9AMAPTPDE4BEGFR
SCHEMBL20023076 0.88 MMP1 (0.56) NPC1RAB9AMAPTEGFRKMT2A
SCHEMBL20023045 0.87 NPC1 (0.55) NPC1RAB9AMAPTEGFRKMT2A
SCHEMBL20023094 0.86 EGFR (0.47) NPC1RAB9AMAPTEGFRKMT2A
SCHEMBL20023072 0.85 L3MBTL1 (0.57) NPC1RAB9AMAPTEGFRKMT2A
SCHEMBL7059127 0.83 PLAAT3 (0.61) NPC1RAB9AMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 254/4885RAB9A 2280/4885MAPT 2401/4885

“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.