SCHEMBL20023079

SCHEMBL20023079

CCc1ccc(OCCC(=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.63
MAPT P10636 1/20 0.63
LMNA P02545 1/20 0.54
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LTA4H P09960 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FFAR1 O14842 4/20 0.47
FFAR4 Q5NUL3 1/20 0.47
NR1H4 Q96RI1 1/20 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
SCHEMBL20382583 0.93 L3MBTL1 (0.62) L3MBTL1MAPTLMNARXRARXRB
SCHEMBL20023066 0.90 L3MBTL1 (0.55) L3MBTL1MAPTMEN1KMT2ALTA4H
SCHEMBL20022968 0.89 TSHR (0.53) L3MBTL1MAPTKMT2AALDH1A1CYP3A4
SCHEMBL20022993 0.88 L3MBTL1 (0.56) L3MBTL1MAPTLMNAMEN1KMT2A
SCHEMBL20022995 0.88 TSHR (0.58) L3MBTL1MAPTLMNAMEN1KMT2A
SCHEMBL20023073 0.87 TSHR (0.52) L3MBTL1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL20023113 0.86 NPC1 (0.49) L3MBTL1MAPTLMNAMEN1KMT2A
SCHEMBL20023097 0.86 FFAR1 (0.53) L3MBTL1MAPTLMNAMEN1KMT2A
SCHEMBL20023107 0.86 FFAR1 (0.53) L3MBTL1MAPTLMNAMEN1KMT2A
SCHEMBL20023082 0.86 RAB9A (0.57) L3MBTL1MAPTMEN1KMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594563-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2018-07-18 EP disclosed
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 3762/4885MAPT 2401/4885LMNA 1311/4885

“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.