Oxalic Acid

Oxalic Acid

SCHEMBL4764583

CCN1CCN(c2nc(C=CCc3cccc(OCCO)c3)cc3ccccc23)CC1.O=C(O)C(=O)O

nearest known ligand 0.44

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
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
LMNA P02545 1/20 0.36
FAAH O00519 1/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36
PABPC1 P11940 1/20 0.36

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
SCHEMBL4769209 0.96 KMT2A (0.38) ALDH1A1KDM4EGAATDP1KMT2A
SCHEMBL4764591 0.89 ALDH1A1 (0.38) ALDH1A1KDM4EGAAHPGDHTT
Oxalic Acid SCHEMBL4770485 0.89 ALDH1A1 (0.46) ALDH1A1KDM4EGAAKMT2AMEN1
Oxalic Acid SCHEMBL4770498 0.89 ALDH1A1 (0.46) ALDH1A1KDM4EGAAKMT2AMEN1
Oxalic Acid SCHEMBL4764582 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EGAAHPGDTDP1
SCHEMBL4768380 0.85 CYSLTR2 (0.41) ALDH1A1KDM4EGAAHPGDHTT
SCHEMBL4768388 0.85 CYSLTR2 (0.41) ALDH1A1KDM4EGAAHPGDHTT
Oxalic Acid SCHEMBL4764765 0.84 MAPT (0.41) ALDH1A1KDM4EGAAKMT2AMEN1
Oxalic Acid SCHEMBL4764768 0.84 MAPT (0.41) ALDH1A1KDM4EGAAKMT2AMEN1
Oxalic Acid SCHEMBL4769148 0.81 KDM4E (0.46) ALDH1A1KDM4EGAATDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 ALDH1A1 2989/4885KDM4E 1050/4885GAA 4736/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885KDM4E 1058/4885GAA 4801/4885

“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.