SCHEMBL534527

SCHEMBL534527

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 1/20 0.44
CYP4A11 Q02928 3/20 0.42
RAB9A P51151 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
CYP4F2 P78329 2/20 0.41
CCR6 P51684 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 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
SCHEMBL27434050 0.83 CYP4A11 (0.54) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL534046 0.82 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL2893364 0.81 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL1071828 0.80 HPGD (0.49) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL23033950 0.80 CA12 (0.51) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL603667 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL27433184 0.78 LOXL2 (0.54) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL31385513 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL30966102 0.78 LOXL2 (0.54) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL27434051 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTGAATSHR

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 2653/4885MAPT 4208/4885

“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.