SCHEMBL20023090

SCHEMBL20023090

CC(C)Oc1ccc(C(=O)CCCC(=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.46
EGFR P00533 2/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR2 P34972 1/20 0.43
HTR2A P28223 1/20 0.42
DPP4 P27487 1/20 0.42
MCL1 Q07820 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALPL P05186 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
SCHEMBL20023077 0.98 EGFR (0.45) PDE4BEGFRNPC1RAB9AALDH1A1
SCHEMBL20023054 0.96 EGFR (0.44) PDE4BEGFRNPC1RAB9AALDH1A1
SCHEMBL20023094 0.93 EGFR (0.47) EGFRNPC1RAB9AALDH1A1TP53
SCHEMBL20023091 0.86 PDE4B (0.63) PDE4BEGFRNPC1RAB9AMAPT
SCHEMBL20023063 0.85 USP5 (0.50) PDE4BEGFRNPC1RAB9AALDH1A1
SCHEMBL20023060 0.85 ERCC5 (0.50) PDE4BEGFRNPC1RAB9ADPP4
SCHEMBL20023040 0.85 TDP1 (0.56) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL20023061 0.84 NPC1 (0.62) PDE4BEGFRNPC1RAB9AMAPT
SCHEMBL20023053 0.83 NPC1 (0.60) PDE4BEGFRNPC1RAB9AMAPT
SCHEMBL20023064 0.83 USP5 (0.50) EGFRNPC1RAB9AALDH1A1MAPT

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 PDE4B 1462/4885EGFR 1203/4885NPC1 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.