Oxalic Acid

Oxalic Acid

SCHEMBL3553401

CN1CCCC1CCOc1ccc2c(c1)CN(CC1CCCCC1)CC2.O=C(O)C(=O)O

nearest known ligand 0.64

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 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.64
HRH1 P35367 2/20 0.52
ESRRG P62508 6/20 0.44
ESR1 P03372 4/20 0.44
CYP2D6 P10635 1/20 0.44
ESRRB O95718 2/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL2563410 0.95 HRH3 (0.70) HRH3HRH1CYP2D6
SCHEMBL2563611 0.95 HRH3 (0.70) HRH3HRH1CYP2D6
SCHEMBL2560963 0.95 HRH3 (0.70) HRH3HRH1CYP2D6
Hydrochloric Acid SCHEMBL3552392 0.94 HRH3 (0.69) HRH3HRH1ESRRGESR1CYP2D6
SCHEMBL2560471 0.94 HRH3 (0.72) HRH3HRH1CYP2D6
Oxalic Acid SCHEMBL3554944 0.87 HRH3 (0.49) HRH3HRH1ESRRGESR1ESRRB
SCHEMBL5223664 0.82 HRH3 (0.55) HRH3HRH1KDM4E
SCHEMBL2564836 0.82 HRH3 (0.55) HRH3HRH1KDM4E
SCHEMBL2564050 0.82 HRH3 (0.55) HRH3HRH1ESRRGESR1KDM4E
SCHEMBL2564277 0.81 HRH3 (0.52) HRH3HRH1ESRRGESR1ESRRB

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-7678807-B2 Isoquinoline and benzo[H] isoquinoline derivatives, preparation and therapeutic use thereof as antagonists of the histamine H3 receptor SANOFI-AVENTIS (FR) 2010-03-16 US disclosed
US-20080269199-A1 ISOQUINOLINE AND BENZO[H]ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AS ANTAGONISTS OF THE HISTAMINE H3 RECEPTOR SANOFI-AVENTIS (FR) 2008-10-30 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 (1 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-20080269199-A1 ISOQUINOLINE AND BENZO[H]ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AS ANTAGONISTS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH1, HRH2 HRH3 1/4885HRH1 2/4885ESRRG 1002/4885

“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.