SCHEMBL660736

SCHEMBL660736

Cc1cc(Cl)c(OCCOc2ccc(/C=C(\C#N)C(=O)O)cc2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
CISD1 Q9NZ45 1/20 0.46
SLC16A3 O15427 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
SLC16A1 P53985 1/20 0.46
GPR35 Q9HC97 1/20 0.46
EGFR P00533 1/20 0.46
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL660737 1.00 KDM4E (0.46) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL662534 0.89 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL4533767 0.86 MAPT (0.41) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL4533775 0.86 MAPT (0.41) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL9360740 0.79 CISD1 (0.56) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL9365514 0.79 CISD1 (0.56) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL9360741 0.79 CISD1 (0.56) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL9365521 0.79 CISD1 (0.56) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL662535 0.77 ALDH1A1 (0.43) KDM4EALDH1A1MAPTNPC1
SCHEMBL662536 0.77 ALDH1A1 (0.43) KDM4EALDH1A1MAPTNPC1

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-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 KDM4E 3884/4885CISD1 4249/4885SLC16A3 2648/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT KDM4E 3615/4885CISD1 4474/4885SLC16A3 4413/4885

“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.