Oxalic Acid

Oxalic Acid

SCHEMBL5863178

CN(C)CCCCNC(=O)c1ccccc1-c1ccccc1CSCCOc1ccccc1.O=C(O)C(=O)O

nearest known ligand 0.48

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 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 4/20 0.43
KCNA5 P22460 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPK1 P28482 2/20 0.41
SLC6A5 Q9Y345 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 2/20 0.40
NTSR1 P30989 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NOD2 Q9HC29 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL5863067 0.95 HTT (0.44) KDM4EALDH1A1KCNA5SMN1; SMN2MAPK1
Oxalic Acid SCHEMBL5863050 0.93 KCNA5 (0.43) KDM4EALDH1A1KCNA5SMN1; SMN2MAPK1
Oxalic Acid SCHEMBL5863081 0.87 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2SLC6A5KMT2A
SCHEMBL5863072 0.85 NPC1 (0.45) KDM4EALDH1A1SMN1; SMN2KMT2ANPC1
Oxalic Acid SCHEMBL5863102 0.85 KDR (0.44) KDM4EALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL6252851 0.83 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL6272024 0.83 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL5864900 0.83 DRD3 (0.42) KDM4EALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL5863052 0.82 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2MAPK1SLC6A5
SCHEMBL5863100 0.82 FYN (0.46) KDM4EALDH1A1SMN1; SMN2KMT2ANPC1

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-7132456-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2006-11-07 US disclosed
US-20060052449-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2006-03-09 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-20060052449-A1 Novel mch receptor antagonists MCHR1, MCHR2, MC1R KDM4E 2532/4885ALDH1A1 1500/4885KCNA5 1296/4885

“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.