SCHEMBL4681277

SCHEMBL4681277

O=C(CCCC(O)CC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ TRPA1 O75762 1/20 0.48
▸ SLC15A1 P46059 2/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ CASP1 P29466 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ CDC25B P30305 1/20 0.43
▸ LPAR1 Q92633 3/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ ADRB3 P13945 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HPGD P15428 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
SCHEMBL9193055 0.91 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1TRPA1SLC15A1
SCHEMBL28769441 0.87 TRPA1 (0.51) ALDH1A1MAPK1L3MBTL1TRPA1TRPV1
SCHEMBL4747934 0.87 TRPA1 (0.51) ALDH1A1MAPK1L3MBTL1TRPA1SLC15A1
SCHEMBL667948 0.87 TRPA1 (0.51) ALDH1A1MAPK1L3MBTL1TRPA1SLC15A1
SCHEMBL22033657 0.87 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1TRPA1SLC15A1
SCHEMBL6153568 0.85 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA
SCHEMBL6369826 0.85 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1TRPA1SLC15A1
SCHEMBL29233259 0.84 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC15A1CASP1
SCHEMBL20966571 0.84 GPR84 (0.51) ALDH1A1MAPK1L3MBTL1TRPA1TRPV1
SCHEMBL22033713 0.84 GPR84 (0.51) ALDH1A1MAPK1L3MBTL1TRPA1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594853-B1 METHOD FOR THE PRODUCTION OF BICYCLIC AROMATIC AMINO ACIDS AND INTERMEDIATE PRODUCTS THEREOF MERCK PATENT GMBH (DE) 2008-07-09 — — EP claimed
US-7371854-B2 Method for the production of bicyclic aromatic amino acids and intermediate products thereof MERCK PATENT GMBH (DE) 2008-05-13 — — US claimed
US-20060142568-A1 Method for the production of bicyclic aromatic amino acids and intermediate products thereof MEREK PATENT GMBH (DE) 2006-06-29 — — US claimed
US-7371854-B2 Method for the production of bicyclic aromatic amino acids and intermediate products thereof MERCK PATENT GMBH (DE) 2008-05-13 — — US disclosed
US-20060142568-A1 Method for the production of bicyclic aromatic amino acids and intermediate products thereof MEREK PATENT GMBH (DE) 2006-06-29 — — 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-20060142568-A1 Method for the production of bicyclic aromatic amino acids and intermediate products thereof ITGA1, ITGB1, ITGA2 ALDH1A1 695/4885MAPK1 944/4885L3MBTL1 4065/4885

“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.

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