Oxalic Acid

Oxalic Acid

SCHEMBL4773717

CCN1CCN(c2nc(-c3ccc(C4CCOCC4)nc3)cc3ccccc23)CC1.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 18)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
JAK2 O60674 1/20 0.39
TSHR P16473 2/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
PKN2 Q16513 1/20 0.38
SYK P43405 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL4769168 0.95 PRKD1 (0.44) PRKD1SMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL4768110 0.83 PRKD1 (0.42) PRKD1SMN1; SMN2CYP1A2CYP2C19KMT2A
Hydrochloric Acid SCHEMBL4766700 0.82 PRKD1 (0.41) PRKD1SMN1; SMN2CYP1A2CYP2C19KMT2A
Oxalic Acid SCHEMBL6288903 0.81 SMN1; SMN2 (0.41) SMN1; SMN2CYP1A2CYP2C19KMT2AL3MBTL1
SCHEMBL4766842 0.81 TNKS (0.45) SMN1; SMN2CYP1A2CYP2C19KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL6288885 0.80 TNKS (0.44) SMN1; SMN2CYP1A2CYP2C19KMT2AL3MBTL1
SCHEMBL4773150 0.78 ACP1 (0.46) PRKD1SMN1; SMN2CYP1A2CYP2C19KMT2A
Oxalic Acid SCHEMBL4765786 0.78 MYC (0.42) SMN1; SMN2CYP1A2CYP2C19KMT2AL3MBTL1
SCHEMBL4766450 0.78 CNR2 (0.44) PRKD1SMN1; SMN2CYP1A2CYP2C19KMT2A
Oxalic Acid SCHEMBL4764161 0.77 ROCK2 (0.40) SMN1; SMN2CYP1A2CYP2C19KMT2AL3MBTL1

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 6 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
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 PRKD1 3692/4885SMN1; SMN2 27/4885CYP1A2 2126/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PRKD1 2371/4885SMN1; SMN2 37/4885CYP1A2 1489/4885

“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.