SCHEMBL2887009

SCHEMBL2887009

Cc1ccc(OCc2ccccc2)c([C@@H](CC(=O)OC(C)(C)C)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.43
PTGER4 P35408 3/20 0.43
PTGER3 P43115 3/20 0.43
PTGER2 P43116 3/20 0.43
LRRK2 Q5S007 2/20 0.42
MRGPRX4 Q96LA9 4/20 0.42
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
AKR1C3 P42330 1/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL4832151 0.87 GAA (0.48) PTGER1PTGER4PTGER3PTGER2LRRK2
SCHEMBL12121776 0.87 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2LRRK2
SCHEMBL1990348 0.86 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2LRRK2
SCHEMBL1990350 0.86 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2LRRK2
SCHEMBL1989522 0.84 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2LRRK2
SCHEMBL1989523 0.84 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2LRRK2
SCHEMBL13257883 0.80 KMT2A (0.47) PTGER1PTGER4PTGER3PTGER2LRRK2
SCHEMBL12986736 0.80 KMT2A (0.47) PTGER1PTGER4PTGER3PTGER2LRRK2
SCHEMBL1995519 0.79 KMT2A (0.45) PTGER1PTGER4PTGER3PTGER2LRRK2
SCHEMBL12124122 0.78 ALDH1A1 (0.44) PTGER1PTGER4PTGER3PTGER2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121069-A1 METHOD FOR MANUFACTURING A BETA-DIARYL ELECTRON WITHDRAWING GROUP SUBSTITUTED COMPOUND MSD K.K. (JP) 2010-05-13 US disclosed
US-20100121069-A1 METHOD FOR MANUFACTURING A BETA-DIARYL ELECTRON WITHDRAWING GROUP SUBSTITUTED COMPOUND MSD K.K. (JP) 2010-05-13 US disclosed
EP-2042478-A1 METHOD FOR PRODUCING -DIARYL ELECTRON-WITHDRAWING GROUP SUBSTITUTED COMPOUND Japan Science and Technology Agency (JP) 2009-04-01 EP 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 (1 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-20100121069-A1 METHOD FOR MANUFACTURING A BETA-DIARYL ELECTRON WITHDRAWING GROUP SUBSTITUTED COMPOUND BMP6, GPR6, ACSL6 PTGER1 2943/4885PTGER4 1159/4885PTGER3 3201/4885

“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.