Oxalic Acid

Oxalic Acid

SCHEMBL149396

COc1cc2c(c(OC)c1)C(Cc1ccc(Br)cc1)NCC2.O=C(O)C(=O)O

nearest known ligand 0.50

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 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL6393104 0.82 KDM4C (0.51) BCHEKDM4EMAPTPKMMEN1
Oxalic Acid SCHEMBL3546925 0.82 BCHE (0.71) BCHEKDM4EMAPTPKMMEN1
SCHEMBL6380551 0.81 BCHE (0.54) BCHEKDM4EMAPTPKMMEN1
SCHEMBL27572202 0.81 GAA (0.49) BCHEKDM4EMAPTPKMMEN1
SCHEMBL6392446 0.79 TBXA2R (0.54) BCHEKDM4EMAPTPKMMEN1
SCHEMBL6398415 0.78 TBXA2R (0.53) BCHEKDM4EMAPTPKMMEN1
Hydrochloric Acid SCHEMBL145663 0.78 BCHE (0.46) BCHEKDM4EMAPTPKMMEN1
SCHEMBL27572201 0.77 TBXA2R (0.44) BCHEKDM4EMAPTPKMMEN1
SCHEMBL12634261 0.76 CHRM4 (0.56) BCHEMAPTMEN1KMT2A
SCHEMBL21328340 0.75 BCHE (0.55) BCHEKDM4EMAPTPKMMEN1

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-20120059032-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES EFFECTIVE AS ANTIGLIOMA AGENTS, METHODS OF MAKING, AND THEIR USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2012-03-08 US disclosed
WO-2011022518-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES EFFECTIVE AS ANTIGLIOMA AGENTS, METHODS OF MAKING, AND THEIR USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2011-02-24 WO 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-20120059032-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES EFFECTIVE AS ANTIGLIOMA AGENTS, METHODS OF MAKING, AND THEIR USE BAD, BAK1, CASP3 BCHE 1788/4885KDM4E 1679/4885MAPT 2973/4885

“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.