Oxalic Acid

Oxalic Acid

SCHEMBL4228870

NC(=O)CCCCCN1CCc2ccccc2C1.O=C(O)C(=O)O

nearest known ligand 0.68

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 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 known ✓ P31645 1/20 0.64
▸ HDAC3 O15379 2/20 0.68
▸ HDAC1 Q13547 2/20 0.68
▸ HDAC8 Q9BY41 2/20 0.68
▸ NCOR2 Q9Y618 2/20 0.68
▸ HDAC2 Q92769 1/20 0.68
▸ HTR7 P34969 10/20 0.64
▸ HTR1A P08908 9/20 0.64
▸ DRD3 P35462 6/20 0.64
▸ DRD2 P14416 5/20 0.64
▸ HTR2B P41595 5/20 0.64
▸ HTR2A P28223 4/20 0.64
▸ HRH1 P35367 4/20 0.64
▸ KDM4E B2RXH2 1/20 0.55
▸ ALOX15 P16050 1/20 0.55

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
Hydrochloric Acid SCHEMBL4231320 0.94 HDAC3 (0.71) HDAC3HDAC1HDAC8NCOR2HDAC2
SCHEMBL4225894 0.94 HDAC3 (0.71) HDAC3HDAC1HDAC8NCOR2HDAC2
Hydrochloric Acid SCHEMBL4224096 0.93 HDAC3 (0.69) HDAC3HDAC1HDAC8NCOR2HDAC2
SCHEMBL4229925 0.90 HTR7 (0.73) HDAC3HDAC1HDAC8NCOR2HDAC2
Hydrochloric Acid SCHEMBL4222979 0.89 HTR7 (0.71) HDAC3HDAC1HDAC8NCOR2HDAC2
Oxalic Acid SCHEMBL4228878 0.88 HTR7 (0.65) HDAC3HDAC1HDAC8NCOR2HDAC2
SCHEMBL17598257 0.86 HDAC3 (0.71) HDAC3HDAC1HDAC8NCOR2HDAC2
SCHEMBL3891857 0.86 HDAC3 (0.68) HDAC3HDAC1HDAC8NCOR2HDAC2
Fumaric Acid SCHEMBL4232353 0.85 HTR7 (0.66) HDAC3HDAC1HDAC8NCOR2HDAC2
Hydrochloric Acid SCHEMBL4251907 0.84 HDAC3 (0.67) HDAC3HDAC1HDAC8NCOR2HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188115-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-05-29 — — US disclosed
US-20090163542-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 — — US disclosed
US-7211585-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 — — US disclosed
US-20060040978-A1 5-HT7 receptor antagonists LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2006-02-23 — — 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-20090163542-A1 5-ht7 receptor antagonists HTR7, HTR1A, HTR5A SLC6A4 20/4885HDAC3 2350/4885HDAC1 2725/4885
US-20060040978-A1 5-HT7 receptor antagonists HTR7, HTR1A, HTR5A SLC6A4 20/4885HDAC3 2350/4885HDAC1 2725/4885

“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.

Send feedback