SCHEMBL534046

SCHEMBL534046

COCCCc1ccc(N)c(C(=O)OC)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
KDM4E B2RXH2 5/20 0.68
GAA P10253 4/20 0.68
HSD17B10 Q99714 3/20 0.68
MAPT P10636 2/20 0.68
HPGD P15428 2/20 0.68
TSHR P16473 2/20 0.68
ALOX15 P16050 1/20 0.68
CFTR P13569 3/20 0.46
GLA P06280 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
CYP4A11 Q02928 3/20 0.42
ABL1 P00519 1/20 0.42
CDC25B P30305 1/20 0.41
CASP6 P55212 1/20 0.41
RCE1 Q9Y256 1/20 0.41
CYP4F2 P78329 2/20 0.41
PTGER4 P35408 1/20 0.40

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
SCHEMBL12598054 0.87 ALDH1A1 (0.69) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL17080825 0.84 ALDH1A1 (0.66) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL25230816 0.83 ALDH1A1 (0.73) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL940556 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL534527 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL26466965 0.81 ALDH1A1 (0.76) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL30041521 0.81 ALDH1A1 (1.00) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL1809277 0.81 ALDH1A1 (1.00) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL221403 0.81 ALDH1A1 (0.81) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL1071828 0.80 HPGD (0.49) ALDH1A1KDM4EGAAHSD17B10MAPT

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-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 ALDH1A1 900/4885KDM4E 2653/4885GAA 341/4885

“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.