SCHEMBL3129803

SCHEMBL3129803

COCCOc1cc(CCOC)cc(C(=O)OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
RAB9A P51151 1/20 0.45
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
POLB P06746 2/20 0.39
NFKB1 P19838 1/20 0.39
XDH P47989 1/20 0.39

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
SCHEMBL10068777 0.88 MAPT (0.50) MAPTRAB9ACYP4F2CYP4A11TDP1
SCHEMBL38987 0.87 MAPT (0.59) MAPTRAB9ATDP1L3MBTL1CA12
SCHEMBL2809253 0.87 MAPT (0.59) MAPTRAB9ATDP1L3MBTL1CA12
SCHEMBL27377035 0.84 MRGPRX4 (0.50) MAPTRAB9ACYP4F2CYP4A11TDP1
SCHEMBL89205 0.83 MAPT (0.54) MAPTRAB9AL3MBTL1CA12CA1
SCHEMBL12733610 0.83 MAPT (0.54) MAPTRAB9ATDP1L3MBTL1CA12
SCHEMBL89159 0.82 KDM4E (0.48) MAPTRAB9ACYP4F2CYP4A11TDP1
SCHEMBL39386 0.81 MAPT (0.53) MAPTRAB9ATDP1L3MBTL1CA12
SCHEMBL16533943 0.81 MAPT (0.53) MAPTRAB9ATDP1L3MBTL1CA12
SCHEMBL2176462 0.81 MAPT (0.45) MAPTRAB9ACYP4F2CYP4A11TDP1

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 MAPT 4162/4885RAB9A 179/4885CYP4F2 398/4885

“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.