SCHEMBL662977

SCHEMBL662977

Cc1cc(Cl)c(OCCc2ccc(CO)cc2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
REN P00797 7/20 0.40
TDP1 Q9NUW8 1/20 0.39
NPBWR1 P48145 1/20 0.39
PPARG P37231 1/20 0.39
MEN1 O00255 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
KMT2A Q03164 1/20 0.38
RHEB Q15382 1/20 0.38
CYP3A4 P08684 1/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL2547093 0.86 REN (0.52) MAPTHPGDMAPK1L3MBTL1REN
SCHEMBL661830 0.85 MAPT (0.48) MAPTHPGDMAPK1L3MBTL1KDM4E
SCHEMBL662629 0.85 MAPT (0.43) MAPTHPGDMAPK1L3MBTL1KDM4E
SCHEMBL662025 0.84 MAPT (0.47) MAPTHPGDMAPK1L3MBTL1KDM4E
SCHEMBL8407758 0.81 MAPT (0.42) MAPTHPGDMAPK1L3MBTL1TDP1
SCHEMBL5069445 0.81 MAPT (0.47) MAPTHPGDMAPK1L3MBTL1KDM4E
SCHEMBL662083 0.80 MAPT (0.43) MAPTHPGDMAPK1L3MBTL1KDM4E
SCHEMBL660641 0.77 MAPT (0.51) MAPTHPGDMAPK1L3MBTL1KDM4E
SCHEMBL2376058 0.75 MAPT (0.54) MAPTHPGDMAPK1L3MBTL1KDM4E
SCHEMBL8409247 0.74 MAOB (0.40)

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-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 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 (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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 MAPT 3436/4885HPGD 559/4885MAPK1 830/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT MAPT 3785/4885HPGD 523/4885MAPK1 497/4885

“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.