SCHEMBL20023088

SCHEMBL20023088

CCCC(=O)c1ccc(OCCC(=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
MAOB P27338 1/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 2/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
MMP1 P03956 1/20 0.45
HRH2 P25021 2/20 0.45

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
SCHEMBL20023082 0.91 RAB9A (0.57) EGFRL3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL20023072 0.90 L3MBTL1 (0.57) EGFRL3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL20023066 0.89 L3MBTL1 (0.55) L3MBTL1MAPTRAB9AALDH1A1NPC1
SCHEMBL20023102 0.86 MAOB (0.65) L3MBTL1MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL20023081 0.86 MAOB (0.48) EGFRL3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL20023104 0.86 EGFR (0.47) EGFRL3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL20023073 0.85 TSHR (0.52) L3MBTL1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL20023045 0.85 NPC1 (0.55) EGFRMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL20023079 0.85 L3MBTL1 (0.63) L3MBTL1MAPTALDH1A1
SCHEMBL20022968 0.84 TSHR (0.53) L3MBTL1MAPTALDH1A1NR4A1NR4A2

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 1203/4885L3MBTL1 3762/4885MAPT 2401/4885

“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.