SCHEMBL662083

SCHEMBL662083

Cc1cc(Cl)c(OCCc2ccc(C=O)cc2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
HPGD P15428 3/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2A6 P11509 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL6547313 0.85 CYP1A2 (0.42) MAPTHPGDMAPK1L3MBTL1CYP1A2
SCHEMBL662528 0.84 ALDH1A1 (0.49) MAPTHPGDMAPK1L3MBTL1CYP1A2
SCHEMBL3657099 0.82 ALDH1A1 (0.55) MAPTHPGDMAPK1L3MBTL1CYP1A2
SCHEMBL661830 0.81 MAPT (0.48) MAPTHPGDMAPK1L3MBTL1CYP1A2
SCHEMBL662025 0.80 MAPT (0.47) MAPTHPGDMAPK1L3MBTL1ALDH1A1
SCHEMBL662977 0.80 MAPT (0.47) MAPTHPGDMAPK1L3MBTL1ALDH1A1
SCHEMBL6547928 0.78 ALDH1A1 (0.35) MAPTHPGDMAPK1L3MBTL1CYP1A2
SCHEMBL3660700 0.77 KDM4E (0.50) MAPTHPGDMAPK1L3MBTL1CYP1A2
SCHEMBL5069445 0.77 MAPT (0.47) MAPTHPGDMAPK1L3MBTL1ALDH1A1
SCHEMBL662629 0.75 MAPT (0.43) MAPTHPGDMAPK1L3MBTL1CYP1A2

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 12 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-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
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-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 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
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 WO disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 MAPT 3436/4885HPGD 559/4885MAPK1 830/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT MAPT 3785/4885HPGD 523/4885MAPK1 497/4885

“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.