SCHEMBL20023095

SCHEMBL20023095

O=C(CCC(=O)c1ccc2c(c1)CCC2)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.50
WNT3A P56704 3/20 0.50
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
RXRB P28702 4/20 0.46
RXRA P19793 3/20 0.46
RXRG P48443 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
GFER P55789 1/20 0.44
PAX8 Q06710 1/20 0.44
KLF5 Q13887 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
MAPK14 Q16539 1/20 0.41
ACHE P22303 2/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 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
SCHEMBL20023069 0.98 CTNNB1 (0.53) CTNNB1WNT3ANPC1RAB9ARXRB
SCHEMBL15988805 0.80 CTNNB1 (0.65) CTNNB1WNT3ANPC1RAB9AALDH1A1
SCHEMBL30089482 0.78 CTNNB1 (0.69) CTNNB1WNT3ANPC1RAB9ARXRB
SCHEMBL15988780 0.77 CTNNB1 (0.68) CTNNB1WNT3ANPC1RAB9AALDH1A1
SCHEMBL20023067 0.76 MRGPRX4 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL20023076 0.76 MMP1 (0.56) NPC1RAB9ASMN1; SMN2L3MBTL1POLB
SCHEMBL6504541 0.75 ALDH1A1 (0.62) CTNNB1WNT3ANPC1RAB9ARXRB
SCHEMBL30089540 0.75 CTNNB1 (0.73) CTNNB1WNT3ANPC1RAB9ARXRB
SCHEMBL20023080 0.74 NPC1 (0.65) NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL20023074 0.74 ACHE (0.51) CTNNB1WNT3ANPC1RAB9AALDH1A1

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 CTNNB1 4562/4885WNT3A 4650/4885NPC1 254/4885

“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.