SCHEMBL3984093

SCHEMBL3984093

CC(C)(C)COCc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 1/20 0.44
MRGPRX4 Q96LA9 7/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MYC P01106 1/20 0.43
NR4A1 P22736 1/20 0.43
SERPINE1 P05121 1/20 0.43
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP1 P29466 1/20 0.41
GAA P10253 2/20 0.41
NR4A2 P43354 1/20 0.40
PTGER1 P34995 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL19810420 0.80 ALDH1A1 (0.49) ALDH1A1TP53KDM4EHSD17B10MRGPRX4
SCHEMBL3981605 0.79 ALDH1A1 (0.45) ALDH1A1TP53KDM4EHSD17B10MRGPRX4
SCHEMBL4564416 0.78 PTGER4 (0.55)
SCHEMBL10202632 0.78 IDO1 (0.55) TP53KDM4EMRGPRX4SMN1; SMN2CASP1
SCHEMBL22473881 0.76 ALDH1A1 (0.59) ALDH1A1TP53KDM4EHSD17B10MRGPRX4
SCHEMBL3980330 0.74 NR4A2 (0.64) ALDH1A1TP53HSD17B10MRGPRX4CA1
SCHEMBL27853748 0.73 ALDH1A1 (0.61) ALDH1A1TP53KDM4EHSD17B10MRGPRX4
SCHEMBL11574914 0.73 MRGPRX4 (0.59) ALDH1A1TP53MRGPRX4NR4A1SERPINE1
SCHEMBL3983063 0.72 NR4A2 (0.58) TP53MRGPRX4NR4A1FABP3FABP4
SCHEMBL3986676 0.72 SERPINE1 (0.44) ALDH1A1TP53KDM4EHSD17B10MRGPRX4

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 12 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
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 ALDH1A1 968/4885TP53 4479/4885KDM4E 963/4885
US-20050267170-A1 Substituted methyl aryl or heteroaryl amide compounds PTGER1, PTGER2, PTGER3 ALDH1A1 968/4885TP53 4479/4885KDM4E 963/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 ALDH1A1 1861/4885TP53 4735/4885KDM4E 1957/4885

“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.