SCHEMBL20023085

SCHEMBL20023085

COc1ccccc1C(=O)CCC(=O)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.52
CTNNB1 P35222 8/20 0.51
WNT3A P56704 8/20 0.51
NPC1 O15118 2/20 0.50
HDAC8 Q9BY41 1/20 0.48
HDAC1 Q13547 1/20 0.48
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL15979734 0.81 CTNNB1 (0.71) CAPN1CTNNB1WNT3ANPC1HDAC8
SCHEMBL7061701 0.80 ABCB1 (0.50) NPC1HPGDALDH1A1KMT2AL3MBTL1
SCHEMBL20023080 0.78 NPC1 (0.65) NPC1ALDH1A1KMT2AL3MBTL1RAB9A
SCHEMBL6203601 0.78 ABCB1 (0.62) CTNNB1WNT3ANPC1HDAC8HDAC1
SCHEMBL8432905 0.78 ALDH1A1 (0.65) NPC1TP53GLAHPGDALDH1A1
SCHEMBL20023074 0.78 ACHE (0.51) CTNNB1WNT3ANPC1HDAC8HDAC1
SCHEMBL30609633 0.78 CTNNB1 (0.63) CAPN1CTNNB1WNT3ANPC1HDAC8
SCHEMBL5081630 0.78 CTNNB1 (0.63) CAPN1CTNNB1WNT3ANPC1HDAC8
SCHEMBL23805175 0.77 ALDH1A1 (0.56) NPC1ALDH1A1HTTKMT2AL3MBTL1
SCHEMBL15979736 0.76 NPC1 (0.76) CTNNB1WNT3ANPC1HDAC8HDAC1

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 CAPN1 1024/4885CTNNB1 4562/4885WNT3A 4650/4885

“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.