SCHEMBL20023084

SCHEMBL20023084

Cc1ccc(C(=O)CCCC(=O)C(=O)OCc2ccccc2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
DPP4 P27487 1/20 0.41
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EGFR P00533 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL20023056 0.96 DPP4 (0.43) L3MBTL1CES2CES1LMNAALDH1A1
SCHEMBL20023040 0.84 TDP1 (0.56) L3MBTL1LMNAALDH1A1DPP4KMT2A
SCHEMBL20023122 0.84 HDAC1 (0.50) ALDH1A1DPP4KMT2AMAPT
SCHEMBL20023089 0.83 HDAC3 (0.41) L3MBTL1LMNAALDH1A1DPP4KMT2A
SCHEMBL20023052 0.82 DPP4 (0.46) L3MBTL1LMNAALDH1A1DPP4KMT2A
SCHEMBL20023057 0.82 HDAC3 (0.43) L3MBTL1LMNAALDH1A1DPP4KMT2A
SCHEMBL20023067 0.81 MRGPRX4 (0.44) L3MBTL1LMNAALDH1A1KMT2AMAPT
SCHEMBL20023032 0.81 TDP1 (0.58) L3MBTL1LMNAALDH1A1DPP4KMT2A
SCHEMBL20023121 0.81 HDAC1 (0.53) ALDH1A1DPP4KMT2AMAPT
SCHEMBL20023091 0.81 PDE4B (0.63) L3MBTL1KMT2AMAPTMEN1EGFR

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 3762/4885CES2 469/4885CES1 309/4885

“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.