Oxalic Acid

Oxalic Acid

SCHEMBL19742815

CN(C)CCC(Oc1cccc2c1OCO2)c1ccc(F)cc1.O=C(O)C(=O)O

nearest known ligand 0.43

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 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 4/20 0.39
SLC6A9 P48067 6/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
HRH3 Q9Y5N1 3/20 0.39
KDM4E B2RXH2 3/20 0.38
UTS2R Q9UKP6 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
SLC6A2 P23975 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
Oxalic Acid SCHEMBL31572073 1.00 SLC6A9 (0.43) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
Oxalic Acid SCHEMBL31572072 1.00 SLC6A9 (0.43) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL31543752 0.94 SLC6A4 (0.43) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL31543768 0.94 SLC6A4 (0.43) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL17880601 0.94 SLC6A4 (0.43) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
Oxalic Acid SCHEMBL19742808 0.93 SLC6A9 (0.44) SLC6A9ALDH1A1SLC6A4HRH3KDM4E
Oxalic Acid SCHEMBL31054153 0.93 SLC6A9 (0.44) SLC6A9ALDH1A1SLC6A4HRH3KDM4E
Oxalic Acid SCHEMBL19742736 0.91 AOC3 (0.38) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
Oxalic Acid SCHEMBL19742800 0.91 UTS2R (0.48) SLC6A9UTS2R
Paraben SCHEMBL31572075 0.90 SLC6A9 (0.39) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9

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 7/4885SLC6A9 552/4885ALDH1A1 89/4885
US-20170369466-A1 3-[(BENZO[D][1,3]DIOXOLAN-4-YL)-OXY]-3-ARYLPROPYLAMINE TYPE COMPOUNDS AND APPLICATIONS THEREOF TPH1, MAOA, MAOB SLC6A4 7/4885SLC6A9 552/4885ALDH1A1 89/4885

“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.