SCHEMBL6444804

SCHEMBL6444804

COC(CNC(=O)C(C=O)Cc1cccc2ccccc12)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
MMP9 P14780 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
ATM Q13315 1/20 0.42
CTNNB1 P35222 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
REN P00797 1/20 0.42
CASP1 P29466 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ANPEP P15144 1/20 0.41
KMT2A Q03164 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
SCHEMBL10389693 0.84 CTNNB1 (0.52) SMN1; SMN2MMP9KDM4EALDH1A1TDP1
SCHEMBL9668155 0.84 CTNNB1 (0.52) SMN1; SMN2MMP9KDM4EALDH1A1TDP1
SCHEMBL9668142 0.84 CTNNB1 (0.52) SMN1; SMN2MMP9KDM4EALDH1A1TDP1
SCHEMBL6447032 0.84 MMP9 (0.44) SMN1; SMN2MMP9KDM4EALDH1A1TDP1
SCHEMBL6444647 0.82 CTSS (0.43) SMN1; SMN2MMP9KDM4EALDH1A1TDP1
SCHEMBL9667020 0.80 CTNNB1 (0.49) MMP9TDP1MMEACECPA1
SCHEMBL6444695 0.79 MME (0.48) MMP9MMEACECPA1ACE2
SCHEMBL9665198 0.79 MME (0.48) MMP9MMEACECPA1ACE2
SCHEMBL6442868 0.78 MMP9 (0.45) MMP9MMEACECPA1ACE2
SCHEMBL6447056 0.78 MME (0.47) MMP9KDM4EALDH1A1TDP1MME

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-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 SMN1; SMN2 1200/4885MMP9 26/4885KDM4E 3396/4885

“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.