SCHEMBL3108148

SCHEMBL3108148

COCCCc1cc(C=O)cc(OCCOC)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
REN P00797 10/20 0.37
KCNH2 Q12809 4/20 0.37
FDPS P14324 1/20 0.36
CYP3A4 P08684 4/20 0.36
EGFR P00533 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL3136166 0.91 FDPS (0.38) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL662039 0.84 FDPS (0.44) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL13131319 0.83 ALDH1A1 (0.54) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL21300649 0.82 CYP1A2 (0.42) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL28054403 0.80 FDPS (0.35) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL662558 0.80 PTGS2 (0.42) CYP3A4CNR1CNR2
SCHEMBL13411260 0.79 CYP1A1 (0.45) ALDH1A1MAPTHPGDFDPSEGFR
SCHEMBL6002467 0.79 ALDH1A1 (0.46) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL1069742 0.78 ALDH1A1 (0.35) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL663232 0.78 PREP (0.34)

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-20100249163-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-09-30 US disclosed
EP-2229363-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2010-09-22 EP disclosed
WO-2009070869-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-06-11 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-20100249163-A1 RENIN INHIBITORS REN, ACE, AGTR1 ALDH1A1 1125/4885MAPT 4060/4885HPGD 751/4885

“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.