SCHEMBL4020932

SCHEMBL4020932

Cc1ccccc1CCOc1ccc(Cl)cc1C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.46
PTGER4 P35408 1/20 0.45
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PTGER1 P34995 1/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 2/20 0.39
DNMT3A Q9Y6K1 1/20 0.39
SNCA P37840 1/20 0.39

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
SCHEMBL692054 0.88 PTGER4 (0.58) AKR1C3PTGER4KMT2AALDH1A1LMNA
SCHEMBL4014975 0.79 PTGER4 (0.60) AKR1C3PTGER4KMT2AALDH1A1LMNA
SCHEMBL4015377 0.77 P2RX1 (0.56) PTGER4KMT2AALDH1A1LMNAMEN1
SCHEMBL4014415 0.76 PTGER4 (0.64) AKR1C3PTGER4KMT2AALDH1A1LMNA
SCHEMBL4016830 0.75 PTGER4 (0.50) PTGER4KMT2AALDH1A1PTGER1MEN1
SCHEMBL10305318 0.74 CNR2 (0.52) DNMT3A
SCHEMBL4014358 0.74 PTGER4 (0.67) AKR1C3PTGER4KMT2AALDH1A1LMNA
SCHEMBL691859 0.72 PTGER4 (0.60) PTGER4PTGER1
SCHEMBL4013417 0.71 PTGER4 (0.76) AKR1C3PTGER4KMT2ALMNAPPARG
SCHEMBL1153992 0.70 AKR1C3 (0.59) AKR1C3LMNAPTGER1DNMT3ASNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756043-B1 ORTHO SUBSTITUTED ARYL OR HETEROARYL AMIDE COMPOUNDS RAQUALIA PHARMA INC (JP) 2009-07-01 EP disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
EP-1756043-A1 ORTHO SUBSTITUTED 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-20050250818-A1 Ortho substituted aryl or heteroaryl amide compounds PFIZER INC 2005-11-10 US disclosed
WO-2005105733-A1 ORTHO SUBSTITUTED 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 (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-20050250818-A1 Ortho substituted aryl or heteroaryl amide compounds OPRL1, PTGER1, OPRM1 AKR1C3 321/4885PTGER4 19/4885KMT2A 1543/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 AKR1C3 1975/4885PTGER4 1/4885KMT2A 2227/4885

“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.