SCHEMBL3986676

SCHEMBL3986676

O=C(O)c1cc(Cl)ccc1COCC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.44
PTGER1 P34995 6/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
METAP2 P50579 1/20 0.40
PTGDR Q13258 2/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
PTGER2 P43116 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CNR1 P21554 2/20 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
SCHEMBL3981224 0.81 TSHR (0.45) SERPINE1PTGER1ALDH1A1TP53MRGPRX4
SCHEMBL691342 0.80 PTGER4 (0.51) PTGDRPTGER2
SCHEMBL4564506 0.80 PTGER4 (0.51) PTGDRPTGER2
SCHEMBL19810420 0.76 ALDH1A1 (0.49) PTGER1ALDH1A1TP53MRGPRX4KDM4E
SCHEMBL3980731 0.74 PTGER4 (0.43) ALDH1A1KDM4EPTGER2CNR1
SCHEMBL3984093 0.72 ALDH1A1 (0.45) SERPINE1PTGER1ALDH1A1TP53MRGPRX4
SCHEMBL3981605 0.72 ALDH1A1 (0.45) PTGER1ALDH1A1TP53MRGPRX4KDM4E
SCHEMBL11168379 0.70 KDM4E (0.59) SERPINE1KDM4EHSD17B10METAP2CNR1
SCHEMBL3980330 0.70 NR4A2 (0.64) ALDH1A1TP53MRGPRX4HSD17B10CA1
SCHEMBL27853748 0.69 ALDH1A1 (0.61) ALDH1A1TP53MRGPRX4KDM4EHSD17B10

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 11 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
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 SERPINE1 3430/4885PTGER1 1/4885ALDH1A1 968/4885
US-20050267170-A1 Substituted methyl aryl or heteroaryl amide compounds PTGER1, PTGER2, PTGER3 SERPINE1 3430/4885PTGER1 1/4885ALDH1A1 968/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 SERPINE1 2650/4885PTGER1 5/4885ALDH1A1 1861/4885

“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.