SCHEMBL20023075

SCHEMBL20023075

CCCc1ccc(C(=O)CCC(=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
DPP4 P27487 1/20 0.46
KMT2A Q03164 3/20 0.45
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
EGFR P00533 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 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
SCHEMBL20023072 0.84 L3MBTL1 (0.57) L3MBTL1RAB9ANPC1KMT2ATHRB
SCHEMBL20023045 0.83 NPC1 (0.55) RAB9ANPC1KMT2ASMN1; SMN2EGFR
SCHEMBL20023080 0.83 NPC1 (0.65) L3MBTL1RAB9ANPC1KMT2ATHRB
SCHEMBL20023052 0.82 DPP4 (0.46) L3MBTL1RAB9ANPC1DPP4KMT2A
SCHEMBL20023099 0.82 USP5 (0.56) L3MBTL1RAB9ANPC1KMT2ATDP1
SCHEMBL20023076 0.81 MMP1 (0.56) L3MBTL1RAB9ANPC1KMT2ATDP1
SCHEMBL820414 0.80 ALDH1A1 (0.56) L3MBTL1RAB9ANPC1KMT2ATDP1
SCHEMBL28013318 0.80 L3MBTL1 (0.72) L3MBTL1RAB9ANPC1DPP4KMT2A
SCHEMBL20023094 0.80 EGFR (0.47) L3MBTL1RAB9ANPC1KMT2ATHRB
SCHEMBL20023137 0.80 NPC1 (0.60) L3MBTL1RAB9ANPC1KMT2ATHRB

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 3762/4885RAB9A 2280/4885NPC1 254/4885

“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.