SCHEMBL535627

SCHEMBL535627

CCOC(=O)CCc1c(C)cccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.49
CYP4A11 Q02928 3/20 0.49
ALDH1A1 P00352 5/20 0.44
GAA P10253 3/20 0.44
NLRP3 Q96P20 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 3/20 0.42
TSHR P16473 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
LMNA P02545 2/20 0.40
PTPN1 P18031 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 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
SCHEMBL4033051 0.92 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1GAAL3MBTL1
SCHEMBL16218017 0.89 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1GAANLRP3
SCHEMBL21225302 0.86 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1GAAMAPT
SCHEMBL27713106 0.85 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1GAAL3MBTL1
SCHEMBL9954458 0.85 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1GAANLRP3
SCHEMBL20749115 0.81 NLRP3 (0.51) CYP4F2CYP4A11ALDH1A1GAANLRP3
SCHEMBL9752201 0.81 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1GAANLRP3
SCHEMBL28147348 0.81 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1GAAMAPT
SCHEMBL13566535 0.80 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1GAANLRP3
SCHEMBL12602229 0.79 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1GAANLRP3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190811-B1 RENIN INHIBITORS MERCK CANADA INC (CA) 2013-08-07 EP disclosed
US-8334308-B2 Renin inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
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
US-20110263658-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-10-27 US disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed
EP-2190811-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2010-06-02 EP disclosed
WO-2009023964-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-02-26 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 (2 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-20110263658-A1 RENIN INHIBITORS REN, ACE, AGTR1 CYP4F2 394/4885CYP4A11 171/4885ALDH1A1 1379/4885
US-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 CYP4F2 844/4885CYP4A11 438/4885ALDH1A1 900/4885

“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.