SCHEMBL20022987

SCHEMBL20022987

COc1cccc(OCCC(=O)C(=O)OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.58
GAA P10253 2/20 0.54
MRGPRX4 Q96LA9 1/20 0.52
LMNA P02545 1/20 0.50
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
APP P05067 1/20 0.45

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
SCHEMBL20022995 0.88 TSHR (0.58) LMNAALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL20022968 0.86 TSHR (0.53) ALDH1A1L3MBTL1MAPTTSHRMAPK1
SCHEMBL20022992 0.85 RXRA (0.53) MAOBFFAR1
SCHEMBL20023108 0.84 MRGPRX4 (0.44) MRGPRX4FFAR4
SCHEMBL24405135 0.83 MAOB (0.60) MAOBGAAMRGPRX4LMNAALDH1A1
SCHEMBL7640983 0.83 HDAC1 (0.54) MAOBGAAMTNR1AMTNR1B
SCHEMBL20023134 0.83 MRGPRX4 (0.57) MRGPRX4ALDH1A1MAPTMTNR1AMTNR1B
SCHEMBL20023103 0.82 HDAC3 (0.53) GAALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL20023113 0.82 NPC1 (0.49) MAOBLMNAALDH1A1L3MBTL1MAPT
SCHEMBL7642367 0.81 CTBP2 (0.55) MAOBMRGPRX4ALDH1A1MAPT

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 MAOB 1303/4885GAA 3/4885MRGPRX4 4103/4885

“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.