Oxalic Acid

Oxalic Acid

SCHEMBL19742791

CNCCC(Oc1cccc2c1OCO2)c1cccc(OC)c1.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
SLC6A4 known ✓ P31645 13/20 0.56
OPRM1 known ✓ P35372 2/20 0.42
SLC6A2 P23975 12/20 0.56
CYP2D6 P10635 6/20 0.53
NOS2 P35228 3/20 0.53
CYP1A2 P05177 4/20 0.47
CYP3A4 P08684 4/20 0.47
TSHR P16473 3/20 0.47
SLC6A3 Q01959 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2C19 P33261 1/20 0.47
PMP22 Q01453 2/20 0.46
CHRM1 P11229 2/20 0.42
ADRA2B P18089 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HRH1 P35367 2/20 0.42
DRD3 P35462 2/20 0.42
OPRK1 P41145 2/20 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
SCHEMBL31543757 0.94 SLC6A4 (0.62) SLC6A4SLC6A2CYP2D6NOS2CYP1A2
SCHEMBL17880593 0.94 SLC6A4 (0.62) SLC6A4SLC6A2CYP2D6NOS2CYP1A2
Oxalic Acid SCHEMBL31054156 0.89 SLC6A2 (0.53) SLC6A4SLC6A2CYP2D6NOS2CYP1A2
Oxalic Acid SCHEMBL19742825 0.89 SLC6A2 (0.53) SLC6A4SLC6A2CYP2D6NOS2CYP1A2
Oxalic Acid SCHEMBL30521166 0.89 SLC6A2 (0.53) SLC6A4SLC6A2CYP2D6NOS2CYP1A2
Oxalic Acid SCHEMBL19742826 0.89 SLC6A4 (0.54) SLC6A4SLC6A2CYP2D6NOS2CYP1A2
Oxalic Acid SCHEMBL19742809 0.88 SLC6A4 (0.52) SLC6A4SLC6A2CYP2D6NOS2CYP1A2
Oxalic Acid SCHEMBL19742814 0.88 SLC6A4 (0.52) SLC6A4SLC6A2CYP2D6NOS2CYP1A2
Oxalic Acid SCHEMBL19742819 0.87 UTS2R (0.42) SLC6A4SLC6A2KCNH2HRH3LMNA
Oxalic Acid SCHEMBL19742729 0.85 SLC6A4 (0.48) SLC6A4SLC6A2CYP2D6NOS2CYP1A2

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-10093644-B2 3-[(Benzo[D][1,3]dioxolan-4-yl)-oxy]-3-arylpropylamine type compounds and applications thereof NHWA PHARMA. CORPORATION (CN) 2018-10-09 US disclosed
US-20170369466-A1 3-[(BENZO[D][1,3]DIOXOLAN-4-YL)-OXY]-3-ARYLPROPYLAMINE TYPE COMPOUNDS AND APPLICATIONS THEREOF NHWA PHARMA. CORPORATION (CN) 2017-12-28 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 (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-10093644-B2 3-[(Benzo[D][1,3]dioxolan-4-yl)-oxy]-3-arylpropylamine type compounds and applications thereof TPH1, MAOA, MAOB SLC6A4 7/4885OPRM1 32/4885SLC6A2 20/4885
US-20170369466-A1 3-[(BENZO[D][1,3]DIOXOLAN-4-YL)-OXY]-3-ARYLPROPYLAMINE TYPE COMPOUNDS AND APPLICATIONS THEREOF TPH1, MAOA, MAOB SLC6A4 7/4885OPRM1 32/4885SLC6A2 20/4885

“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.