SCHEMBL20023073

SCHEMBL20023073

CCCCCCOc1ccc(OCCC(=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52
PLA2G4B P0C869 3/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HDAC3 O15379 3/20 0.51
HDAC4 P56524 3/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
NR5A1 Q13285 1/20 0.50

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
SCHEMBL20023066 0.96 L3MBTL1 (0.55) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL20023079 0.87 L3MBTL1 (0.63) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL20022968 0.86 TSHR (0.53) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL17010694 0.86 ALDH1A1 (0.52) TSHRTP53ALDH1A1CYP3A4MAPK1
SCHEMBL20022993 0.85 L3MBTL1 (0.56) TP53ALDH1A1L3MBTL1
SCHEMBL20022995 0.85 TSHR (0.58) TSHRTP53ALDH1A1CYP3A4L3MBTL1
SCHEMBL7636447 0.85 HDAC1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7635583 0.85 HDAC1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20023088 0.85 EGFR (0.52) ALDH1A1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL20382530 0.85 ALDH1A1 (0.49) TSHRALDH1A1CYP3A4MAPK1TDP1

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 TSHR 2541/4885TP53 4477/4885PLA2G4B 1472/4885

“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.