SCHEMBL20023094

SCHEMBL20023094

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNR2 P34972 1/20 0.44
HTR2A P28223 1/20 0.44
MCL1 Q07820 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
PKM P14618 1/20 0.42

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 0.93 EGFR (0.45) EGFRNPC1RAB9AKMT2AALDH1A1
SCHEMBL20023090 0.93 PDE4B (0.46) EGFRNPC1RAB9AKMT2AALDH1A1
SCHEMBL20023054 0.92 EGFR (0.44) EGFRNPC1RAB9AKMT2AALDH1A1
SCHEMBL20023080 0.86 NPC1 (0.65) EGFRNPC1RAB9AKMT2AALDH1A1
SCHEMBL20023099 0.85 USP5 (0.56) EGFRNPC1RAB9AKMT2AALDH1A1
SCHEMBL20023076 0.84 MMP1 (0.56) EGFRNPC1RAB9AKMT2AMAPT
SCHEMBL20023045 0.84 NPC1 (0.55) EGFRNPC1RAB9AKMT2AALDH1A1
SCHEMBL20023137 0.82 NPC1 (0.60) EGFRNPC1RAB9AKMT2AALDH1A1
SCHEMBL20023072 0.81 L3MBTL1 (0.57) EGFRNPC1RAB9AKMT2AALDH1A1
SCHEMBL20023136 0.80 HDAC3 (0.55) NPC1RAB9AKMT2AALDH1A1TP53

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 EGFR 1203/4885NPC1 254/4885RAB9A 2280/4885

“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.