SCHEMBL20023040

SCHEMBL20023040

O=C(CCCC(=O)c1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 1/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53

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
SCHEMBL20023032 0.97 TDP1 (0.58) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL20023036 0.95 TDP1 (0.61) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL20023029 0.90 L3MBTL1 (0.51) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL20023133 0.90 POLB (0.48) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL20023052 0.89 DPP4 (0.46) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL20023060 0.89 ERCC5 (0.50) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL20023091 0.88 PDE4B (0.63) NPC1RAB9AL3MBTL1MAPTHDAC1
SCHEMBL20023049 0.87 HDAC1 (0.55) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL31549929 0.87 HTT (0.59) TDP1L3MBTL1LMNAMAPTHDAC1
SCHEMBL20023119 0.87 KMT2A (0.61) TDP1NPC1RAB9ALMNAHDAC1

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 TDP1 2809/4885NPC1 254/4885RAB9A 2280/4885

“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.