SCHEMBL5895993

SCHEMBL5895993

CCOc1ccccc1-c1ccc(C=C(NC(=O)c2ccccc2)C(=O)O)o1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPK1 P28482 6/20 0.47
MITF O75030 4/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SLC9A1 P19634 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44
POLB P06746 2/20 0.44
RAD52 P43351 1/20 0.44

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
SCHEMBL5895983 1.00 MAPT (0.53) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5895973 1.00 MAPT (0.53) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5895545 0.88 MAPT (0.51) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5895568 0.88 MAPT (0.51) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5895557 0.88 MAPT (0.51) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5897108 0.83 ALDH1A1 (0.54) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL5897095 0.83 ALDH1A1 (0.54) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL5897102 0.83 ALDH1A1 (0.54) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL847396 0.82 MAPK1 (0.50) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL5894971 0.82 MAPK1 (0.50) MAPTALDH1A1HPGDKDM4ELMNA

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 MAPT 3583/4885ALDH1A1 832/4885HPGD 2299/4885
US-20060004063-A1 Inhibitors of HCV NS5B polymerase POLRMT, EIF5B, POLI MAPT 3589/4885ALDH1A1 1400/4885HPGD 2011/4885

“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.