SCHEMBL20023060

SCHEMBL20023060

O=C(CCCC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
MMP1 P03956 1/20 0.50
PDE4B Q07343 1/20 0.47
EGFR P00533 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
DPP4 P27487 1/20 0.46
POLB P06746 1/20 0.45
SRD5A2 P31213 3/20 0.44
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL20023076 0.92 MMP1 (0.56) ERCC5FEN1MMP1EGFRNPC1
SCHEMBL20023040 0.89 TDP1 (0.56) NPC1RAB9ADPP4CASP3SENP8
SCHEMBL20023091 0.88 PDE4B (0.63) PDE4BEGFRNPC1RAB9APLAAT3
SCHEMBL20023032 0.86 TDP1 (0.58) NPC1RAB9ADPP4CASP3SENP8
SCHEMBL20023061 0.86 NPC1 (0.62) PDE4BEGFRNPC1RAB9ADPP4
SCHEMBL20023029 0.85 L3MBTL1 (0.51) NPC1RAB9ADPP4POLBCASP3
SCHEMBL20023090 0.85 PDE4B (0.46) PDE4BEGFRNPC1RAB9ADPP4
SCHEMBL20023036 0.85 TDP1 (0.61) NPC1RAB9ADPP4CASP3SENP8
SCHEMBL20023053 0.85 NPC1 (0.60) PDE4BEGFRNPC1RAB9ADPP4
SCHEMBL20023062 0.85 NPC1 (0.60) PDE4BEGFRNPC1RAB9ADPP4

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 ERCC5 4848/4885FEN1 4385/4885MMP1 687/4885

“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.