SCHEMBL3166353

SCHEMBL3166353

CCOC(=O)C=Cc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
HCAR3 P49019 6/20 0.52
ALDH1A1 P00352 1/20 0.52
STAT3 P40763 1/20 0.51
CASP6 P55212 1/20 0.49
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.46

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
SCHEMBL4882206 1.00 TSHR (0.52) TSHRHCAR3ALDH1A1STAT3CASP6
SCHEMBL3500826 0.88 KMT2A (0.51) ALDH1A1STAT3LMNARAB9A
SCHEMBL3500828 0.88 KMT2A (0.51) ALDH1A1STAT3LMNARAB9A
SCHEMBL2536459 0.86 STAT3 (0.54) TSHRALDH1A1STAT3LMNARAB9A
SCHEMBL2536457 0.86 STAT3 (0.54) TSHRALDH1A1STAT3LMNARAB9A
SCHEMBL1013072 0.85 STAT3 (0.53) ALDH1A1STAT3LMNARAB9A
SCHEMBL1013073 0.85 STAT3 (0.53) ALDH1A1STAT3LMNARAB9A
SCHEMBL24358978 0.84 STAT3 (0.52) ALDH1A1STAT3LMNARAB9A
SCHEMBL4956345 0.84 STAT3 (0.52) ALDH1A1STAT3LMNARAB9A
SCHEMBL4876750 0.84 STAT3 (0.52) ALDH1A1STAT3LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247420-B2 Compositions, synthesis, and methods of using quinolinone based atypical antipsychotic agents REVIVA PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-8247420-B2 Compositions, synthesis, and methods of using quinolinone based atypical antipsychotic agents REVIVA PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
EP-2162135-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING QUINOLINONE BASED ATYPICAL ANTIPSYCHOTIC AGENTS Reviva Pharmaceuticals, Inc. (US) 2010-03-17 EP disclosed
WO-2008144764-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING QUINOLINONE BASED ATYPICAL ANTIPSYCHOTIC AGENTS REVIVA PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
US-20080293736-A1 Compositions, Synthesis, and Methods of Using Quinolinone Based Atypical Antipsychotic Agents REVIVA PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
US-20080293736-A1 Compositions, Synthesis, and Methods of Using Quinolinone Based Atypical Antipsychotic Agents REVIVA PHARMACEUTICALS, INC. (US) 2008-11-27 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-20080293736-A1 Compositions, Synthesis, and Methods of Using Quinolinone Based Atypical Antipsychotic Agents GRIN2D, GRIN2C, AP3D1 TSHR 2080/4885HCAR3 1377/4885ALDH1A1 2027/4885

“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.