Oxalic Acid

Oxalic Acid

SCHEMBL5863058

CN(C)CCCCNC(=O)c1ccc(-c2ccc(CSCCOc3ccccc3)cc2)cc1.O=C(O)C(=O)O

nearest known ligand 0.56

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
ROCK2 O75116 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ROCK1 Q13464 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
NPC1 O15118 6/20 0.45
RAB9A P51151 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
BCL2 P10415 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNA1B Q00975 1/20 0.45
HPGD P15428 1/20 0.45

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
Hydrochloric Acid SCHEMBL5863069 0.94 ROCK2 (0.49) ROCK2CYP3A4CYP2D6CYP2C9ROCK1
Oxalic Acid SCHEMBL5863159 0.93 ALDH1A1 (0.51) ROCK2CYP3A4CYP2D6CYP2C9ROCK1
Oxalic Acid SCHEMBL5863422 0.92 CYP3A4 (0.51) ROCK2CYP3A4CYP2D6CYP2C9ROCK1
Oxalic Acid SCHEMBL5863223 0.92 KDR (0.47) ROCK2CYP3A4CYP2D6CYP2C9ROCK1
Oxalic Acid SCHEMBL5863207 0.89 FYN (0.49) ROCK2CYP3A4CYP2D6CYP2C9ROCK1
Oxalic Acid SCHEMBL5863123 0.89 CYP3A4 (0.51) ROCK2CYP3A4CYP2D6CYP2C9ROCK1
Oxalic Acid SCHEMBL5863081 0.88 KDM4E (0.44) DRD3LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL5863289 0.87 FYN (0.50) ROCK2CYP3A4CYP2D6CYP2C9ROCK1
SCHEMBL5863072 0.86 NPC1 (0.45) ROCK2CYP3A4CYP2D6CYP2C9ROCK1
Oxalic Acid SCHEMBL5863295 0.85 FYN (0.47) ROCK2CYP3A4CYP2D6CYP2C9ROCK1

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 ROCK2 863/4885CYP3A4 3461/4885CYP2D6 1387/4885

“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.