SCHEMBL16304136

SCHEMBL16304136

COC(=O)c1ccc(Br)cc1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.47
SLC6A3 Q01959 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 5/20 0.44
GAA P10253 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NPC1 O15118 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.42

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
SCHEMBL3712715 0.88 NR4A2 (0.50) NR4A2SLC6A3L3MBTL1ALDH1A1GAA
SCHEMBL30752924 0.86 NR4A2 (0.49) NR4A2SLC6A3L3MBTL1ALDH1A1GAA
SCHEMBL275285 0.86 NR4A2 (0.49) NR4A2SLC6A3L3MBTL1ALDH1A1GAA
SCHEMBL7662781 0.86 NR4A2 (0.49) NR4A2PTGDR2SLC6A3L3MBTL1ALDH1A1
SCHEMBL27769962 0.85 NR4A2 (0.48) NR4A2SLC6A3L3MBTL1ALDH1A1GAA
SCHEMBL257356 0.85 NR4A2 (0.48) NR4A2SLC6A3L3MBTL1ALDH1A1GAA
SCHEMBL24456980 0.84 NR4A2 (0.44) NR4A2SLC6A3L3MBTL1ALDH1A1GAA
SCHEMBL38663198 0.83 NR4A2 (0.47) NR4A2SLC6A3L3MBTL1ALDH1A1GAA
SCHEMBL12095473 0.83 NR4A2 (0.47) NR4A2SLC6A3L3MBTL1ALDH1A1GAA
SCHEMBL30802482 0.83 NR4A2 (0.47) NR4A2SLC6A3L3MBTL1ALDH1A1GAA

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-20230322692-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF USA Elixiria Biotech Inc. (US) 2023-10-12 US disclosed
US-20180208600-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-07-26 US disclosed
US-9908886-B2 Bicyclic heterocyclic derivatives as MNK1 and MNK2 modulators and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-03-06 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20150038506-A1 BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-02-05 US disclosed
US-20140371199-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-12-18 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 (4 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-20150038506-A1 BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF MAPKAPK2, NEK2, MKNK2 NR4A2 572/4885PTGDR2 1980/4885SLC6A3 1690/4885
US-20180208600-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF MAPKAPK2, MKNK2, MAP4K2 NR4A2 732/4885PTGDR2 1608/4885SLC6A3 4560/4885
US-20230322692-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF PPARA, PPARG, PPARD NR4A2 222/4885PTGDR2 125/4885SLC6A3 1190/4885
US-20140371199-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF MAPKAPK2, MKNK2, MAP4K2 NR4A2 732/4885PTGDR2 1608/4885SLC6A3 4560/4885

“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.