SCHEMBL20023046

SCHEMBL20023046

CC(C)c1ccc(OCC(=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.53
▸ RXRB P28702 1/20 0.53
▸ MRGPRX4 Q96LA9 1/20 0.52
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ GAA P10253 1/20 0.50
▸ ALOX5 P09917 1/20 0.48
▸ FFAR1 O14842 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL20023101 0.87 RXRA (0.51) RXRARXRBMRGPRX4NPC1RAB9A
SCHEMBL20022957 0.85 ALOX15 (0.53) NPC1RAB9AALOX5L3MBTL1KMT2A
SCHEMBL20023010 0.85 ADAMTS5 (0.52) MRGPRX4NPC1RAB9AKDM4EPOLB
SCHEMBL7642332 0.82 CNR2 (0.51) RXRARXRBMRGPRX4NPC1RAB9A
SCHEMBL20023012 0.78 MRGPRX4 (0.53) MRGPRX4NPC1RAB9AKDM4EPOLB
SCHEMBL683554 0.77 RXRA (0.66) RXRARXRBMRGPRX4RAB9AGAA
SCHEMBL20023099 0.77 USP5 (0.56) RXRARXRBMRGPRX4NPC1RAB9A
SCHEMBL19749165 0.77 RXRA (0.51) RXRARXRBMRGPRX4NPC1RAB9A
SCHEMBL20382458 0.77 S1PR1 (0.47) MRGPRX4NPC1RAB9AKDM4EPOLB
SCHEMBL27444971 0.76 ALOX5 (0.48) ALOX5LMNAL3MBTL1

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 RXRA 4014/4885RXRB 4049/4885MRGPRX4 4103/4885

“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.

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