SCHEMBL20023066

SCHEMBL20023066

CCCCOc1ccc(OCCC(=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
LTA4H P09960 4/20 0.48
HDAC3 O15379 3/20 0.48
HDAC4 P56524 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC11 Q96DB2 3/20 0.48
HDAC8 Q9BY41 3/20 0.48

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
SCHEMBL20023073 0.96 TSHR (0.52) L3MBTL1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL20023079 0.90 L3MBTL1 (0.63) L3MBTL1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL20022968 0.90 TSHR (0.53) L3MBTL1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL20022995 0.89 TSHR (0.58) L3MBTL1ALDH1A1CYP3A4TSHRMAPT
SCHEMBL20022993 0.89 L3MBTL1 (0.56) L3MBTL1ALDH1A1MAPTMEN1NPC1
SCHEMBL20023088 0.89 EGFR (0.52) L3MBTL1ALDH1A1MAPTNPC1RAB9A
SCHEMBL20023105 0.88 HDAC3 (0.50) L3MBTL1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL20023113 0.88 NPC1 (0.49) L3MBTL1ALDH1A1TSHRMAPTMEN1
SCHEMBL20023082 0.87 RAB9A (0.57) L3MBTL1ALDH1A1MAPTMEN1NPC1
SCHEMBL20023102 0.86 MAOB (0.65) L3MBTL1ALDH1A1MAPTKMT2A

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 L3MBTL1 3762/4885ALDH1A1 961/4885CYP3A4 4407/4885

“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.