SCHEMBL661870

SCHEMBL661870

O=Cc1cccc(OCCC(=O)O)c1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.54
ALDH1A1 P00352 5/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RAD52 P43351 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
TLR2 O60603 1/20 0.38
ERN1 O75460 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PRNP P04156 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL2557964 0.85 PTGDR2 (0.72) PTGDR2ALDH1A1LMNAHPGDHTT
SCHEMBL4350483 0.84 PTGDR2 (0.71) PTGDR2ALDH1A1LMNAHPGDHTT
SCHEMBL664143 0.82 USP2 (0.46) PTGDR2ALDH1A1LMNAHPGDHTT
SCHEMBL16706950 0.80 MAPT (0.46) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL456650 0.80 PTGDR2 (0.46) PTGDR2ALDH1A1LMNAHPGDHTT
SCHEMBL15077481 0.80 ALDH1A1 (0.55) PTGDR2ALDH1A1LMNAHPGDHTT
SCHEMBL1498464 0.80 ALDH1A1 (0.55) PTGDR2ALDH1A1LMNAHPGDHTT
SCHEMBL456781 0.79 MTNR1A (0.44) PTGDR2ALDH1A1LMNAHPGDHTT
SCHEMBL25166114 0.78 LMNA (0.53) ALDH1A1LMNASMN1; SMN2KMT2AGAA
SCHEMBL5019551 0.78 ALDH1A1 (0.53) PTGDR2ALDH1A1LMNAHPGDHTT

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 PTGDR2 1386/4885ALDH1A1 2104/4885LMNA 1559/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT PTGDR2 1701/4885ALDH1A1 2078/4885LMNA 1587/4885

“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.