SCHEMBL20022993

SCHEMBL20022993

Cc1ccc(OCCC(=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 1/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 3/20 0.46
NR1H4 Q96RI1 1/20 0.46
AR P10275 1/20 0.46
MAOB P27338 1/20 0.46
LTA4H P09960 1/20 0.45
HPGD P15428 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
SCHEMBL7636427 0.92 HDAC3 (0.55) L3MBTL1RAB9AKDM4EKMT2AMEN1
SCHEMBL20022968 0.90 TSHR (0.53) L3MBTL1KMT2ACYP2C19MAPTALDH1A1
SCHEMBL20022995 0.89 TSHR (0.58) L3MBTL1RAB9AKMT2AMEN1LMNA
SCHEMBL20023066 0.89 L3MBTL1 (0.55) L3MBTL1RAB9AKMT2AMEN1NPC1
SCHEMBL20023113 0.88 NPC1 (0.49) L3MBTL1RAB9AKDM4EKMT2AMEN1
SCHEMBL20023079 0.88 L3MBTL1 (0.63) L3MBTL1KDM4EKMT2AMEN1LMNA
SCHEMBL20023102 0.86 MAOB (0.65) L3MBTL1KMT2AGAAHTTMAPT
SCHEMBL20022989 0.86 TAAR1 (0.50) L3MBTL1KMT2AMEN1MAPTALDH1A1
SCHEMBL20022994 0.86 FFAR1 (0.48) L3MBTL1KMT2AMEN1LMNAMAPT
SCHEMBL20023083 0.85 MAPT (0.45) L3MBTL1MAPTALDH1A1MAOB

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 L3MBTL1 3762/4885RAB9A 2280/4885KDM4E 3499/4885

“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.