SCHEMBL4157969

SCHEMBL4157969

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.42
PTGER1 P34995 10/20 0.39
CYP2C9 P11712 5/20 0.38
THRB P10828 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
FFAR1 O14842 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE5A O76074 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
SCN9A Q15858 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
SCHEMBL4151690 0.92 PTGER1 (0.40) MRGPRX4PTGER1CYP2C9THRBCYP11B1
SCHEMBL4154379 0.91 PTGER1 (0.47) PTGER1CYP2C9CYP3A4CYP2C19SCN9A
SCHEMBL4150598 0.90 PTGER1 (0.46) PTGER1CYP2C9CYP3A4CYP2C19SCN9A
SCHEMBL4147969 0.90 PTGER1 (0.46) MRGPRX4PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4168715 0.89 PTGER1 (0.41) MRGPRX4PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4149186 0.89 PTGER1 (0.41) PTGER1CYP2C9CYP3A4CYP2C19SCN9A
SCHEMBL4147391 0.88 PTGER1 (0.41) MRGPRX4PTGER1CYP2C9THRBCYP11B1
SCHEMBL4162608 0.88 PTGER1 (0.44) MRGPRX4PTGER1CYP2C9THRBCYP3A4
SCHEMBL4154000 0.88 PTGER1 (0.42) MRGPRX4PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4162898 0.86 PTGER1 (0.44) PTGER1CYP2C9CYP3A4CYP2C19SCN9A

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 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.