SCHEMBL4151690

SCHEMBL4151690

CCOC(=O)c1cc(C2=C(c3cc(Br)cnc3OCc3ccc(C(F)(F)F)cc3F)CCC2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 10/20 0.40
MRGPRX4 Q96LA9 1/20 0.38
THRB P10828 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
FFAR1 O14842 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 2/20 0.35
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
FOS P01100 1/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL4157969 0.92 MRGPRX4 (0.42) PTGER1MRGPRX4THRBCYP11B1CYP11B2
SCHEMBL4151701 0.90 PTGER1 (0.46) PTGER1MRGPRX4FFAR1CYP2C9
SCHEMBL4162650 0.88 PTGER1 (0.41) PTGER1MAPTCYP2C9
SCHEMBL4162608 0.88 PTGER1 (0.44) PTGER1MRGPRX4THRBCYP2C9ALDH1A1
SCHEMBL4164430 0.85 PTGER1 (0.42) PTGER1CYP2C9ALDH1A1
SCHEMBL4149701 0.85 MRGPRX4 (0.39) PTGER1MRGPRX4THRBMAPTCYP2C9
SCHEMBL13696911 0.85 PTGER1 (0.51) PTGER1CYP2C9
SCHEMBL4170694 0.84 PTGER1 (0.37) PTGER1MAPTCYP2C9ALDH1A1GAA
SCHEMBL4161765 0.84 PTGER1 (0.47) PTGER1CYP2C9ALDH1A1GAA
SCHEMBL4159104 0.83 GRM7 (0.40) PTGER1MAPTCYP2C9ALDH1A1

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-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
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 PTGER1 246/4885MRGPRX4 435/4885THRB 558/4885

“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.