Oxalic Acid

Oxalic Acid

SCHEMBL3579470

CCOC(=O)c1ccc(OC(OC)N2CCCC2)cc1.O=C(O)C(=O)O

nearest known ligand 0.50

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
SLC6A4 known ✓ P31645 2/20 0.43
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ESR1 P03372 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
ESR2 Q92731 1/20 0.42
CA14 Q9ULX7 1/20 0.42
STS P08842 1/20 0.42

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
SCHEMBL3580271 0.96 KCNH2 (0.49) KCNH2HRH3RAB9ANPC1ALDH1A1
SCHEMBL2429238 0.83 SLC6A2 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL72448 0.81 KCNH2 (0.51) KCNH2HRH3RAB9ANPC1ALDH1A1
SCHEMBL5155659 0.77 SLC6A2 (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL2433276 0.76 SLC6A2 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2429207 0.75 KCNH2 (0.46) KCNH2HRH3RAB9ANPC1ALDH1A1
SCHEMBL5152638 0.72 SLC6A2 (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL27567028 0.72 CA12 (0.53) RAB9AALDH1A1SMN1; SMN2HPGDCA12
SCHEMBL31664440 0.71 CA12 (0.56) RAB9AALDH1A1SMN1; SMN2HPGDCA12
SCHEMBL982169 0.71 CA12 (0.59) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD

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-20100076202-A1 METHOD FOR PRODUCING PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-03-25 US disclosed
US-20070149607-A1 Method for producing pyrrolidine derivative DAICHI PAHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
EP-1698621-A1 METHOD FOR PRODUCING PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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 (2 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-20100076202-A1 METHOD FOR PRODUCING PYRROLIDINE DERIVATIVE ALDH18A1, PLAAT4, ACSL4 SLC6A4 1949/4885KCNH2 1337/4885HRH3 3971/4885
US-20070149607-A1 Method for producing pyrrolidine derivative ALDH18A1, PLAAT4, ACSL4 SLC6A4 1949/4885KCNH2 1337/4885HRH3 3971/4885

“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.