SCHEMBL3136166

SCHEMBL3136166

COCCOc1cc(C=O)cc(CCOC)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
EGFR P00533 4/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3108148 0.91 ALDH1A1 (0.39) FDPSALDH1A1MAPTHPGDLMNA
SCHEMBL662039 0.86 FDPS (0.44) FDPSALDH1A1MAPTHPGDLMNA
SCHEMBL6002467 0.81 ALDH1A1 (0.46) FDPSALDH1A1MAPTHPGDLMNA
SCHEMBL13411260 0.81 CYP1A1 (0.45) FDPSALDH1A1MAPTHPGDEGFR
SCHEMBL27377044 0.81 CHRM2 (0.40) FDPSALDH1A1MAPTHPGDLMNA
SCHEMBL16406826 0.80 NPC1 (0.41) FDPSALDH1A1MAPTHPGDLMNA
SCHEMBL13131319 0.79 ALDH1A1 (0.54) FDPSALDH1A1MAPTHPGDLMNA
SCHEMBL1347260 0.79 FDPS (0.39) FDPSALDH1A1MAPTHPGDLMNA
SCHEMBL18860542 0.79 EGFR (0.47) FDPSALDH1A1MAPTHPGDEGFR
SCHEMBL21300649 0.78 CYP1A2 (0.42) FDPSALDH1A1MAPTHPGDLMNA

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-8076359-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-12-13 US disclosed
EP-2097377-B1 RENIN INHIBITORS MERCK FROSST CANADA LTD (CA) 2010-07-07 EP disclosed
US-20100063091-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-03-11 US disclosed
EP-2097377-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2009-09-09 EP disclosed
WO-2008058387-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2008-05-22 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 (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-20100063091-A1 RENIN INHIBITORS REN, ACE, AGTR1 FDPS 1360/4885ALDH1A1 524/4885MAPT 4162/4885

“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.