SCHEMBL20023099

SCHEMBL20023099

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.56
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
EGFR P00533 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BCHE P06276 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CNR2 P34972 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
SCHEMBL20023064 0.92 USP5 (0.50) USP5RXRARXRBKMT2AMEN1
SCHEMBL20023063 0.92 USP5 (0.50) USP5RXRARXRBKMT2AMEN1
SCHEMBL20023094 0.85 EGFR (0.47) KMT2ALMNARAB9ANPC1EGFR
SCHEMBL20023080 0.83 NPC1 (0.65) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL19749165 0.82 RXRA (0.51) USP5RXRARXRBKMT2AMEN1
SCHEMBL20023075 0.82 L3MBTL1 (0.58) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL20023076 0.81 MMP1 (0.56) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL7642332 0.81 CNR2 (0.51) RXRARXRBKMT2AMEN1LMNA
SCHEMBL20023101 0.81 RXRA (0.51) RXRARXRBKMT2AMEN1LMNA
SCHEMBL20023045 0.81 NPC1 (0.55) KMT2AMEN1RAB9ANPC1EGFR

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 USP5 3625/4885RXRA 4014/4885RXRB 4049/4885

“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.