Oxalic Acid

Oxalic Acid

SCHEMBL5082796

C[C@@H](NCCc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1.O=C(O)C(=O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
BCHE P06276 2/20 0.52
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
PARP10 Q53GL7 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 2/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALOX5 P09917 1/20 0.49
SRD5A2 P31213 1/20 0.49
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49

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
SCHEMBL5082286 0.97 MAOB (0.56) MAOBNR4A1NR4A2NR4A3BCHE
SCHEMBL5076500 0.97 MAOB (0.56) MAOBNR4A1NR4A2NR4A3BCHE
Bromide SCHEMBL5078347 0.96 MAOB (0.55) MAOBNR4A1NR4A2NR4A3BCHE
Hydrochloric Acid SCHEMBL5079981 0.96 MAOB (0.55) MAOBNR4A1NR4A2NR4A3BCHE
SCHEMBL5082682 0.93 MAOB (0.51) MAOBNR4A1NR4A2NR4A3BCHE
SCHEMBL5082447 0.93 MAOB (0.51) MAOBNR4A1NR4A2NR4A3BCHE
SCHEMBL5082302 0.92 BCHE (0.58) MAOBBCHENPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL6212620 0.88 SIGMAR1 (0.57) MAOBNR4A1NR4A2NR4A3BCHE
SCHEMBL5082780 0.88 BCHE (0.54) MAOBBCHENPC1MAPTRAB9A
SCHEMBL5076506 0.83 OPRK1 (0.62) SIGMAR1NPC1RAB9ASMN1; SMN2MEN1

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.