SCHEMBL4155880

SCHEMBL4155880

CCOC(=O)c1nc(C2=C(c3cc(C(F)(F)F)ccc3OCc3c(F)cccc3F)CCC2)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 11/20 0.45
CYP2C9 P11712 3/20 0.44
MRGPRX4 Q96LA9 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARD Q03181 1/20 0.38
MAPT P10636 2/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOB P27338 1/20 0.35
GUCY1B2 O75343 1/20 0.34
GUCY1A2 P33402 1/20 0.34
GUCY1A1 Q02108 1/20 0.34
GUCY1B1 Q02153 1/20 0.34

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
SCHEMBL4154448 0.95 MRGPRX4 (0.44) PTGER1CYP2C9MRGPRX4CYP3A4CYP2C19
SCHEMBL4149717 0.93 PTGER1 (0.43) PTGER1CYP2C9MRGPRX4CYP3A4CYP2C19
SCHEMBL4163463 0.92 PTGER1 (0.50) PTGER1CYP2C9MRGPRX4CYP3A4CYP2C19
SCHEMBL4155958 0.91 MRGPRX4 (0.49) PTGER1CYP2C9MRGPRX4CYP3A4CYP2C19
SCHEMBL4159006 0.91 PTGER1 (0.46) PTGER1CYP2C9MRGPRX4CYP3A4CYP2C19
SCHEMBL4154376 0.89 PTGER1 (0.43) PTGER1CYP2C9MRGPRX4CYP3A4CYP2C19
SCHEMBL4150648 0.88 PTGER1 (0.53) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4150131 0.88 PTGER1 (0.59) PTGER1CYP2C9PPARDMAOB
SCHEMBL13697347 0.88 PTGER1 (0.49) PTGER1CYP2C9CYP3A4CYP2C19PPARD
SCHEMBL4159266 0.87 PTGER1 (0.53) PTGER1CYP2C9MRGPRX4CYP3A4CYP2C19

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 PTGER1 246/4885CYP2C9 5/4885MRGPRX4 435/4885

“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.