SCHEMBL3983385

SCHEMBL3983385

O=C(O)c1cc(Cl)ccc1COc1ccccc1Cl

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.74
HTT P42858 1/20 0.74
MRGPRX4 Q96LA9 8/20 0.71
FABP3 P05413 2/20 0.62
FABP4 P15090 2/20 0.62
FABP5 Q01469 2/20 0.62
TRPM4 Q8TD43 1/20 0.56
NPC1 O15118 2/20 0.55
MCL1 Q07820 1/20 0.54
HPGD P15428 2/20 0.54
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
MEN1 O00255 1/20 0.53
MITF O75030 1/20 0.53
XBP1 P17861 1/20 0.53
NFKB1 P19838 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
KMT2A Q03164 1/20 0.53
RELA Q04206 1/20 0.53

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
SCHEMBL3978104 0.86 MRGPRX4 (0.60) TP53HTTMRGPRX4FABP3FABP4
SCHEMBL2601420 0.85 TP53 (1.00) TP53HTTMRGPRX4FABP3FABP4
SCHEMBL3986731 0.85 HTT (0.57) TP53HTTMRGPRX4FABP3FABP4
SCHEMBL11574914 0.84 MRGPRX4 (0.59) TP53HTTMRGPRX4FABP3FABP4
SCHEMBL3806442 0.83 MRGPRX4 (0.71) TP53HTTMRGPRX4FABP3FABP4
SCHEMBL22480892 0.83 MRGPRX4 (1.00) TP53HTTMRGPRX4FABP3FABP4
SCHEMBL5839484 0.83 FABP3 (0.78) TP53HTTMRGPRX4FABP3FABP4
SCHEMBL19593272 0.82 TP53 (0.64) TP53HTTMRGPRX4FABP3FABP4
SCHEMBL3983117 0.81 MRGPRX4 (0.59) TP53HTTMRGPRX4FABP3FABP4
SCHEMBL3980353 0.81 MRGPRX4 (0.53) TP53HTTMRGPRX4FABP3FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756042-B1 SUBSTITUTED METHYL ARYL OR HETEROARYL AMIDE COMPOUNDS RAQUALIA PHARMA INC (JP) 2014-02-12 EP disclosed
US-8084476-B2 Substituted methyl aryl or heteroaryl amide compounds RAQUALIA PHARMA INC. (JP) 2011-12-27 US disclosed
US-20090163558-A1 Substituted Methyl Aryl or Heteroaryl Amide Compounds RAQUALIA PHARMA INC. (JP) 2009-06-25 US disclosed
US-7534914-B2 Substituted methyl aryl or heteroaryl amide compounds REQUALIA PHARMA INC. (JP) 2009-05-19 US disclosed
WO-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 WO disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
CN-1950333-A Substituted methyl aryl or heteroaryl amide compounds PFIZER (US) 2007-04-18 CN disclosed
CN-1946391-A Combinations comprising alpha-2-delta ligands PFIZER PROD INC (US) 2007-04-11 CN disclosed
EP-1756042-A1 SUBSTITUTED METHYL ARYL OR HETEROARYL AMIDE COMPOUNDS Pfizer, Inc. (US) 2007-02-28 EP disclosed
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
US-20050267170-A1 Substituted methyl aryl or heteroaryl amide compounds PFIZER INC 2005-12-01 US disclosed
WO-2005105732-A1 SUBSTITUTED METHYL ARYL OR HETEROARYL AMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2005-11-10 WO disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 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 (3 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-20090163558-A1 Substituted Methyl Aryl or Heteroaryl Amide Compounds PTGER1, PTGER2, PTGER3 TP53 4479/4885HTT 1653/4885MRGPRX4 66/4885
US-20050267170-A1 Substituted methyl aryl or heteroaryl amide compounds PTGER1, PTGER2, PTGER3 TP53 4479/4885HTT 1653/4885MRGPRX4 66/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 TP53 4735/4885HTT 4511/4885MRGPRX4 89/4885

“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.