SCHEMBL20023050

SCHEMBL20023050

CC(C)(CCCCCC(=O)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HTT P42858 1/20 0.41
MBOAT4 Q96T53 1/20 0.40
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38

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
SCHEMBL20023018 0.90 ALDH1A1 (0.43) ALDH1A1HTTMBOAT4MAPK1L3MBTL1
SCHEMBL20023141 0.88 ALDH1A1 (0.46) ALDH1A1HTTMBOAT4MAPK1L3MBTL1
SCHEMBL20023142 0.86 ALDH1A1 (0.45) ALDH1A1HTTMBOAT4MAPK1L3MBTL1
SCHEMBL20023140 0.85 ALDH1A1 (0.44) ALDH1A1HTTMBOAT4MAPK1L3MBTL1
SCHEMBL20023143 0.81 HTT (0.58) ALDH1A1HTTMAPK1L3MBTL1TDP1
SCHEMBL2390214 0.80 CES2 (0.55) ALDH1A1HTTMAPK1L3MBTL1TDP1
SCHEMBL7635324 0.80 CES2 (0.55) ALDH1A1HTTMAPK1L3MBTL1TDP1
SCHEMBL20022954 0.80 ALDH1A1 (0.54) ALDH1A1HTTMAPK1L3MBTL1TDP1
SCHEMBL7633315 0.80 CES2 (0.55) ALDH1A1HTTMAPK1L3MBTL1TDP1
SCHEMBL16464762 0.80 CES2 (0.55) ALDH1A1HTTMAPK1L3MBTL1TDP1

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 ALDH1A1 961/4885HTT 1520/4885MBOAT4 787/4885

“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.