SCHEMBL5082282

SCHEMBL5082282

C[C@H](N[C@H](C)C(=O)c1ccc(OCc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
ACACB O00763 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
PARP10 Q53GL7 1/20 0.52
CHRM4 P08173 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
SRD5A2 P31213 1/20 0.51
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
LTA4H P09960 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 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
SCHEMBL5082538 1.00 MAOB (0.56) MAOBNR4A1NR4A2NR4A3ACACB
SCHEMBL5076496 1.00 MAOB (0.56) MAOBNR4A1NR4A2NR4A3ACACB
Hydrochloric Acid SCHEMBL5079978 0.99 MAOB (0.55) MAOBNR4A1NR4A2NR4A3ACACB
Bromide SCHEMBL5078346 0.99 MAOB (0.55) MAOBNR4A1NR4A2NR4A3ACACB
Oxalic Acid SCHEMBL5082792 0.97 MAOB (0.53) MAOBNR4A1NR4A2NR4A3ACACB
SCHEMBL5082680 0.95 MAOB (0.51) MAOBNR4A1NR4A2NR4A3ACACB
SCHEMBL5082443 0.95 MAOB (0.51) MAOBNR4A1NR4A2NR4A3ACACB
SCHEMBL5082300 0.93 NPC1 (0.53) MAOBNR4A1NR4A2NR4A3ACACB
SCHEMBL5082775 0.89 CA1 (0.53) MAOBNR4A1NR4A2NR4A3ACACB
SCHEMBL13399685 0.82 LTA4H (0.59) MAOBNR4A1NR4A2NR4A3HDAC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7408084-B2 Process for producing optically active β-amino alcohol KANEKA CORPORATION (JP) 2008-08-05 US disclosed
US-20050277791-A1 Process for producing optically active beta-amino alcohol KANEKA CORPORATION (JP) 2005-12-15 US disclosed
EP-1512677-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE s-AMINO ALCOHOL KANEKA CORPORATION (JP) 2005-03-09 EP 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-20050277791-A1 Process for producing optically active beta-amino alcohol ADH1A, ALDH7A1, ADH1C MAOB 404/4885NR4A1 3598/4885NR4A2 4341/4885

“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.