SCHEMBL4146409

SCHEMBL4146409

Nc1cc(C(=O)O)cc(C2=C(c3cc(C(F)(F)F)cnc3OCc3c(F)cccc3Cl)CCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.45
PTGER1 P34995 13/20 0.44
CYP2C9 P11712 2/20 0.44
DHODH Q02127 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALKBH1 Q13686 1/20 0.39
MET P08581 1/20 0.37
RORC P51449 1/20 0.36

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
SCHEMBL4154616 0.94 PTGER1 (0.47) MRGPRX4PTGER1CYP2C9
SCHEMBL4162796 0.89 PTGER1 (0.44) MRGPRX4PTGER1CYP2C9
SCHEMBL4166655 0.87 PTGER1 (0.48) MRGPRX4PTGER1CYP2C9ALKBH1
SCHEMBL4162433 0.87 PTGER1 (0.44) MRGPRX4PTGER1CYP2C9
SCHEMBL4163102 0.87 PTGER1 (0.53) MRGPRX4PTGER1CYP2C9
SCHEMBL13697257 0.86 PTGER1 (0.48) MRGPRX4PTGER1CYP2C9
SCHEMBL4155598 0.85 PTGER1 (0.48) MRGPRX4PTGER1CYP2C9
SCHEMBL4149578 0.85 PTGER1 (0.44) MRGPRX4PTGER1CYP2C9
SCHEMBL13697214 0.85 PTGER1 (0.59) MRGPRX4PTGER1CYP2C9
SCHEMBL4147446 0.85 PTGER1 (0.44) MRGPRX4PTGER1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US 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-20090227591-A1 Cyclopentene compounds C1R, CYP1B1, ADORA2B MRGPRX4 435/4885PTGER1 246/4885CYP2C9 5/4885

“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.