Oxalic Acid

Oxalic Acid

SCHEMBL6419992

CN(C)CCCn1cc(-c2ccccc2)c(OCc2ccccc2)n1.C[C@@H]1CCC[C@H](C)N1CCn1cc(-c2ccccc2)c(OCc2ccccc2)n1.O=C(O)C(=O)O

nearest known ligand 0.41

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 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2D6 P10635 1/20 0.37
LMNA P02545 1/20 0.37
LTA4H P09960 1/20 0.37
ENPP2 Q13822 1/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35

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
Oxalic Acid SCHEMBL2577871 0.88 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2CYP2D6LTA4H
SCHEMBL4051907 0.88 LTA4H (0.46) CYP2D6LTA4HENPP2POLBHRH3
SCHEMBL2578648 0.88 LTA4H (0.46) CYP2D6LTA4HENPP2POLBHRH3
SCHEMBL1385958 0.88 LTA4H (0.46) CYP2D6LTA4HENPP2POLBHRH3
Hydrochloric Acid SCHEMBL2575663 0.87 LTA4H (0.45) CYP2D6LTA4HENPP2POLBHRH3
SCHEMBL1384547 0.83 PDE10A (0.42) KDM4ECYP2D6LTA4HPOLBHRH3
Hydrochloric Acid SCHEMBL2575915 0.82 POLB (0.42) KDM4ECYP2D6LTA4HPOLBHRH3
SCHEMBL1385049 0.78 PDE10A (0.43) KDM4ECYP2D6ENPP2POLBHRH3
Hydrochloric Acid SCHEMBL2577843 0.77 PDE10A (0.42) KDM4ECYP2D6ENPP2POLBHRH3
Oxalic Acid SCHEMBL2582750 0.76 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2005-07-28 US claimed

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-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them C1R, CBR3, C3AR1 KDM4E 4615/4885ALDH1A1 2499/4885SMN1; SMN2 2172/4885

“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.