SCHEMBL13110201

SCHEMBL13110201

C[C@H](CO)C(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.63
NR4A1 P22736 1/20 0.62
NR4A2 P43354 1/20 0.62
NR4A3 Q92570 1/20 0.62
PARP10 Q53GL7 1/20 0.59
SRD5A2 P31213 1/20 0.57
PLA2G4B P0C869 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
EGFR P00533 3/20 0.53
LMNA P02545 2/20 0.53
LTA4H P09960 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
NCOR2 Q9Y618 1/20 0.52

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
SCHEMBL6803381 0.87 MAOB (0.61) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL6816962 0.86 MAOB (0.69) MAOBNR4A1NR4A2NR4A3PARP10
Hydrochloric Acid SCHEMBL8599010 0.85 MAOB (0.58) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL169289 0.84 MAOB (0.65) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL103047 0.84 MAOB (0.65) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL5078379 0.84 MAOB (0.65) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL9771515 0.83 MAOB (0.57) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL8594326 0.83 MAOB (0.57) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL11496897 0.82 L3MBTL1 (0.59) MAOBNR4A1NR4A2NR4A3PARP10
Hydrochloric Acid SCHEMBL9641061 0.82 MAOB (0.63) MAOBNR4A1NR4A2NR4A3PARP10

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-7820703-B2 Lysophosphatidic acid receptor selective antagonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-10-26 US disclosed
US-20080318901-A1 Novel Lysophosphatidic Acid Receptor Selective Antagonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-12-25 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-20080318901-A1 Novel Lysophosphatidic Acid Receptor Selective Antagonists LPAR3, LPAR2, LPAR1 MAOB 2557/4885NR4A1 2318/4885NR4A2 1909/4885

“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.