SCHEMBL20023083

SCHEMBL20023083

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PPARG P37231 7/20 0.45
PPARA Q07869 2/20 0.43
PPARD Q03181 1/20 0.43
MAOB P27338 1/20 0.43
CTSL P07711 1/20 0.42
CTSK P43235 1/20 0.42
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
TSHR P16473 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
SCHEMBL20023100 0.87 MRGPRX4 (0.50) MAPTL3MBTL1HDAC3HDAC4HDAC1
SCHEMBL20022968 0.86 TSHR (0.53) MAPTL3MBTL1TSHRALDH1A1
SCHEMBL20022993 0.85 L3MBTL1 (0.56) MAPTL3MBTL1MAOBALDH1A1
SCHEMBL20022995 0.85 TSHR (0.58) MAPTL3MBTL1HDAC3HDAC4HDAC1
SCHEMBL20023066 0.85 L3MBTL1 (0.55) MAPTL3MBTL1HDAC3HDAC4HDAC1
SCHEMBL20023113 0.84 NPC1 (0.49) MAPTL3MBTL1MAOBHDAC3HDAC4
SCHEMBL20023079 0.84 L3MBTL1 (0.63) MAPTL3MBTL1TSHRALDH1A1
SCHEMBL20023102 0.83 MAOB (0.65) MAPTL3MBTL1MAOBALDH1A1
SCHEMBL20023104 0.83 EGFR (0.47) MAPTL3MBTL1MAOBALDH1A1
SCHEMBL20022994 0.83 FFAR1 (0.48) MAPTL3MBTL1MAOBALDH1A1

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 MAPT 2401/4885L3MBTL1 3762/4885PPARG 1129/4885

“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.