SCHEMBL20023067

SCHEMBL20023067

Cc1ccc(C(=O)CCC(=O)C(=O)OCc2ccccc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
EGFR P00533 3/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL20023074 0.86 ACHE (0.51) MRGPRX4KMT2AMEN1ALDH1A1LMNA
SCHEMBL20023084 0.81 L3MBTL1 (0.43) KMT2AMEN1ALDH1A1LMNATDP1
SCHEMBL20023056 0.81 DPP4 (0.43) KMT2AMEN1ALDH1A1LMNAHDAC1
SCHEMBL20831011 0.80 TDP1 (0.58) MRGPRX4KMT2AALDH1A1LMNATDP1
SCHEMBL257581 0.79 RAB9A (0.55) MRGPRX4ALDH1A1LMNAHDAC1HDAC6
SCHEMBL20023080 0.77 NPC1 (0.65) KMT2AMEN1ALDH1A1LMNAEGFR
SCHEMBL20023070 0.76 MMP1 (0.49) MRGPRX4KMT2AALDH1A1LMNAHDAC1
SCHEMBL20023075 0.76 L3MBTL1 (0.58) KMT2AMEN1ALDH1A1LMNATDP1
SCHEMBL20023099 0.76 USP5 (0.56) MRGPRX4KMT2AMEN1ALDH1A1LMNA
SCHEMBL20023069 0.76 CTNNB1 (0.53) MRGPRX4ALDH1A1TDP1MAPTNPC1

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 MRGPRX4 4103/4885KMT2A 1937/4885MEN1 3973/4885

“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.