SCHEMBL663578

SCHEMBL663578

C=CCc1ccc(Cl)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
TP53 P04637 1/20 0.52
MRGPRX4 Q96LA9 2/20 0.49
XDH P47989 1/20 0.46
TDP1 Q9NUW8 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH2 P05091 1/20 0.44
GABRA1 P14867 1/20 0.44
AKR1B1 P15121 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
PPARG P37231 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
SCHEMBL28739989 0.86 TSHR (0.52) ALDH1A1TP53XDHTDP1KDM4E
SCHEMBL15006288 0.84 XDH (0.50) ALDH1A1XDHTDP1KDM4EMAPT
SCHEMBL979252 0.81 KLKB1 (0.65) ALDH1A1XDHTDP1KDM4EMAPT
SCHEMBL5832225 0.79 ALDH1A1 (0.66) ALDH1A1XDHTDP1KDM4EMAPT
SCHEMBL5831388 0.79 XDH (0.46) ALDH1A1XDHTDP1KDM4EMAPT
SCHEMBL6036597 0.79 XDH (0.46) ALDH1A1XDHTDP1KDM4EMAPT
SCHEMBL7061099 0.79 XDH (0.48) ALDH1A1XDHTDP1KDM4EMAPT
SCHEMBL9273645 0.79 MAPT (0.56) ALDH1A1XDHTDP1KDM4EMAPT
SCHEMBL13622158 0.78 ALDH1A1 (0.59) ALDH1A1TP53MRGPRX4TDP1KDM4E
SCHEMBL664561 0.77 CYP4F2 (0.45) ALDH1A1XDHTDP1KDM4EMAPT

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 5 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
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

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 ALDH1A1 2104/4885TP53 4790/4885MRGPRX4 534/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT ALDH1A1 2078/4885TP53 4862/4885MRGPRX4 310/4885

“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.