SCHEMBL4874839

SCHEMBL4874839

C=Cc1ccc(C2(O)COC(C)(C)OC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.32
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRND Q07001 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL4879907 0.77 TAAR1 (0.41) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL2467827 0.76 ALDH1A1 (0.46) ALDH1A1TDP1HDAC8TSHR
SCHEMBL8990373 0.76 CHRNB2 (0.46) ALDH1A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL17800104 0.75 ALDH1A1 (0.50) ALDH1A1TDP1HDAC8TSHR
SCHEMBL16687334 0.72 ALDH1A1 (0.46) ALDH1A1TDP1TSHR
SCHEMBL20267003 0.72 ALDH1A1 (0.46) ALDH1A1TDP1HDAC8TSHR
SCHEMBL4576685 0.71 ALDH1A1 (0.41) ALDH1A1HDAC8TSHR
SCHEMBL19700519 0.71 ALDH1A1 (0.44) ALDH1A1TDP1TSHR
Methyl Alcohol SCHEMBL28639806 0.65 ALDH1A1 (0.79) ALDH1A1TDP1CHRNB2CHRNB4CHRNA3
SCHEMBL4251654 0.64 CHRNB2 (0.44) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4

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 3 patents. 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
US-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds MORRIELLO GREGORI J 2008-11-13 US disclosed
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 1045/4885TDP1 4349/4885CHRNA1 4462/4885

“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.