SCHEMBL5895046

SCHEMBL5895046

Cc1ccccc1Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MAPK14 Q16539 1/20 0.46
THRB P10828 1/20 0.45
CYP3A4 P08684 1/20 0.45
EZH2 Q15910 1/20 0.45
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
CHIA Q9BZP6 1/20 0.42

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
SCHEMBL5895057 1.00 ALDH1A1 (0.59) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL5895034 1.00 ALDH1A1 (0.59) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL5897085 0.88 MEN1 (0.60) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL5897091 0.88 MEN1 (0.60) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL5897077 0.88 MEN1 (0.60) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL5896411 0.86 ALDH1A1 (0.54) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL5896424 0.86 ALDH1A1 (0.54) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL5896397 0.86 ALDH1A1 (0.54) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL5896926 0.86 ALDH1A1 (0.61) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL5896931 0.86 ALDH1A1 (0.61) ALDH1A1LMNAMAPTKDM4EHPGD

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
US-7041690-B2 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC (US) 2006-05-09 US disclosed
US-20060004063-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC 2006-01-05 US disclosed
EP-1532128-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
US-20040142980-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004002977-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-01-08 WO 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 (2 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-20040142980-A1 Inhibitors of HCV NS5B polymerase POLRMT, POLR1E, CTDSP1 ALDH1A1 832/4885LMNA 4118/4885MAPT 3583/4885
US-20060004063-A1 Inhibitors of HCV NS5B polymerase POLRMT, EIF5B, POLI ALDH1A1 1400/4885LMNA 4047/4885MAPT 3589/4885

“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.