SCHEMBL4874895

SCHEMBL4874895

C=CCOc1cc(Br)ccc1C=Nc1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ HPGD P15428 4/20 0.53
▸ MAPT P10636 4/20 0.53
▸ GAA P10253 3/20 0.53
▸ MAOB P27338 3/20 0.46
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4874887 1.00 ALDH1A1 (0.53) ALDH1A1HPGDMAPTGAAMAOB
SCHEMBL4957949 0.87 HPGD (0.52) ALDH1A1HPGDMAPTGAAMAOB
SCHEMBL4957945 0.87 HPGD (0.52) ALDH1A1HPGDMAPTGAAMAOB
SCHEMBL13372072 0.82 ALDH1A1 (0.47) ALDH1A1HPGDMAPTGAAMAOB
SCHEMBL14206846 0.81 MAOB (0.65) ALDH1A1MAPTGAAMAOBLMNA
SCHEMBL5210543 0.74 HPGD (0.58) ALDH1A1HPGDGAASMN1; SMN2MAPK1
SCHEMBL4619965 0.73 HPGD (0.54) ALDH1A1HPGDMAPTGAALMNA
SCHEMBL13886069 0.72 MAOB (0.60) MAOBLMNASMN1; SMN2
SCHEMBL4430797 0.72 MAOB (0.60) MAOBLMNASMN1; SMN2
SCHEMBL4430794 0.72 MAOB (0.60) MAOBLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds MORRIELLO GREGORI J 2008-11-13 — — 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-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds APOB, PCSK9, CYP46A1 ALDH1A1 1045/4885HPGD 2837/4885MAPT 4761/4885

“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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