SCHEMBL13764875

SCHEMBL13764875

COC(=O)CCC[C@H](OC)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.47
CYP2D6 P10635 2/20 0.47
MMP9 P14780 2/20 0.47
MMP12 P39900 2/20 0.47
KCNH2 Q12809 2/20 0.47
MMP3 P08254 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
AOC3 Q16853 1/20 0.45
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL3999031 0.84 ALDH1A1 (0.48) ALDH1A1MAPTHTTAOC3CA12
SCHEMBL2044616 0.84 ALDH1A1 (0.48) ALDH1A1MAPTHTTAOC3CA12
SCHEMBL7149177 0.83 MAPT (0.47) ALDH1A1MAPTHTTCA12CA2
SCHEMBL4004397 0.83 MMP1 (0.40) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL4004394 0.83 MMP1 (0.40) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL4001359 0.82 MMP1 (0.39) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL4001361 0.82 MMP1 (0.39) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL29117963 0.81 HTT (0.45) CYP2D6ALDH1A1MAPTHTTCA12
SCHEMBL3999028 0.81 KMT2A (0.42) CYP2D6ALDH1A1MAPTHTT
SCHEMBL3999024 0.81 KMT2A (0.42) CYP2D6ALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563888-B2 Process for the preparation of diphenyl azetidinone derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-07-21 US disclosed
US-20070149501-A1 PROCESS FOR THE PREPARATION OF DIPHENYL AZETIDINONE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-28 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-20070149501-A1 PROCESS FOR THE PREPARATION OF DIPHENYL AZETIDINONE DERIVATIVES CYP46A1, APOB, DHCR7 MMP1 4602/4885CYP2D6 63/4885MMP9 3661/4885

“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.