SCHEMBL3134747

SCHEMBL3134747

COCCOc1cc(CO)cc(CCOC)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.39
CBFB Q13951 1/20 0.38
ENPP2 Q13822 1/20 0.35
CNR1 P21554 6/20 0.34
CNR2 P34972 5/20 0.34
REN P00797 4/20 0.34
KCNH2 Q12809 2/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
NR3C1 P04150 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
CYP2D6 P10635 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP2J2 P51589 1/20 0.33
PDE4D Q08499 1/20 0.33
CYP3A4 P08684 1/20 0.32
MAPT P10636 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
SCHEMBL2810509 0.89 CBFB (0.41) DAOCBFBCYP4F2CYP4A11CYP2D6
SCHEMBL8263863 0.84 ALDH1A1 (0.41) DAOCBFBCNR1CNR2MAPT
SCHEMBL2807883 0.82 ACHE (0.48) CBFBCNR1CNR2
SCHEMBL11956987 0.81 HTR1A (0.40) CBFBCYP4F2CYP4A11MAPT
SCHEMBL18860620 0.81 MAPT (0.43) CBFBCYP4F2CYP4A11CYP2D6MAPT
SCHEMBL16397054 0.78 PLAU (0.36) DAOENPP2RENKCNH2MAPT
SCHEMBL16092470 0.76 ACHE (0.40) CNR1CNR2CYP4F2CYP4A11
SCHEMBL10068777 0.76 MAPT (0.50) CYP4F2CYP4A11MAPT
SCHEMBL3129803 0.76 MAPT (0.50) CYP4F2CYP4A11MAPT
SCHEMBL2810985 0.76 PDE4A (0.40) CNR1CNR2PDE4D

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 DAO 1748/4885CBFB 3930/4885ENPP2 1744/4885

“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.