SCHEMBL20023081

SCHEMBL20023081

CC(C)CC(=O)c1ccc(OCCC(=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
EGFR P00533 3/20 0.47
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 3/20 0.43
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
MAPK1 P28482 2/20 0.42
PARP10 Q53GL7 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 2/20 0.42
THRB P10828 1/20 0.41
TSHR P16473 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
SCHEMBL20023082 0.87 RAB9A (0.57) MAOBEGFRNR4A1NR4A2NR4A3
SCHEMBL20023102 0.87 MAOB (0.65) MAOBNR4A1NR4A2NR4A3MAPT
SCHEMBL20023088 0.86 EGFR (0.52) MAOBEGFRHRH2HRH1NR4A1
SCHEMBL20023104 0.84 EGFR (0.47) MAOBEGFRNR4A1NR4A2NR4A3
SCHEMBL20023101 0.83 RXRA (0.51) MAPTRAB9AL3MBTL1LMNANPC1
SCHEMBL20022968 0.82 TSHR (0.53) NR4A1NR4A2NR4A3MAPTALDH1A1
SCHEMBL20023066 0.81 L3MBTL1 (0.55) MAPTALDH1A1RAB9AL3MBTL1MAPK1
SCHEMBL20022995 0.81 TSHR (0.58) MAPTSMN1; SMN2ALDH1A1RAB9AL3MBTL1
SCHEMBL20022993 0.81 L3MBTL1 (0.56) MAOBMAPTALDH1A1RAB9AHTT
SCHEMBL20023072 0.81 L3MBTL1 (0.57) MAOBEGFRNR4A1NR4A2NR4A3

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 MAOB 1303/4885EGFR 1203/4885HRH2 2579/4885

“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.